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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:20:03 UTC

HMDB ID

HMDB0001228

Secondary Accession Numbers

HMDB01228

Metabolite Identification

Common Name

L-Glutamic acid 5-phosphate

Description

L-Glutamic acid 5-phosphate, also known as L-glutam-5-yl phosphate or L-glutamyl 5-phosphoric acid, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Glutamic acid 5-phosphate exists in all living species, ranging from bacteria to plants to humans. L-Glutamic acid 5-phosphate has been detected, but not quantified in, several different foods, such as fireweeds (Chamerion angustifolium), kumquats (Fortunella), blackcurrants (Ribes nigrum), burdocks (Arctium lappa), and cucurbita (Cucurbita). This could make L-glutamic acid 5-phosphate a potential biomarker for the consumption of these foods. L-Glutamic acid 5-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on L-Glutamic acid 5-phosphate.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652306232019092D          

 14 13  0  0  0  0            999 V2000
 9996.1320 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8465 9996.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4172 9996.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1320 9997.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5619 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7028 9997.0702    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2751 9996.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.1144 9997.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9841 9996.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2892 9997.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9905 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2751 9995.8331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7038 9996.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9905 9997.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001228

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1

> <INCHI_KEY>
PJRXVIJAERNUIP-VKHMYHEASA-N

> <FORMULA>
C5H10NO7P

> <MOLECULAR_WEIGHT>
227.1092

> <EXACT_MASS>
227.019488191

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
18.089346648683048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid

> <ALOGPS_LOGP>
-1.96

> <JCHEM_LOGP>
-3.0424739962552194

> <ALOGPS_LOGS>
-1.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.9768584566142886

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1185265364746844

> <JCHEM_PKA_STRONGEST_BASIC>
9.511214443237481

> <JCHEM_POLAR_SURFACE_AREA>
147.15

> <JCHEM_REFRACTIVITY>
42.4474

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-gamma-glutamyl phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JUN-20         0                                  
HETATM    1  C   UNK     0    8659.4468661.198   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8660.7808660.429   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8658.1128660.429   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8659.4468662.737   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8662.1158661.198   0.000  0.00  0.00           C+0
HETATM    6  P   UNK     0    8656.7788661.198   0.000  0.00  0.00           P+0
HETATM    7  C   UNK     0    8663.4478660.429   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8657.5478662.533   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8655.4378660.425   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8656.0068662.533   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8664.7828661.198   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    8663.4478658.888   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0    8666.1148660.429   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8664.7828662.737   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6                                                       
CONECT    4    1                                                            
CONECT    5    2    7                                                       
CONECT    6    3    8    9   10                                             
CONECT    7    5   11   12                                                  
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    7   13   14                                                  
CONECT   12    7                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoic acid	ChEBI
5-oxo-5-(Phosphonooxy)-L-norvaline	ChEBI
L-Glutam-5-yl phosphate	ChEBI
L-Glutamate 5-phosphate	ChEBI
L-Glutamyl 5-phosphate	ChEBI
(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoate	Generator
L-Glutam-5-yl phosphoric acid	Generator
L-Glutamic acid 5-phosphoric acid	Generator
L-Glutamyl 5-phosphoric acid	Generator
L-gamma-Glutamyl-5-P	HMDB
L-gamma-Glutamyl-5-phosphate	HMDB
L-Glutamate-5-phosphate	HMDB
L-Glutamyl-5-P	HMDB
gamma-Glutamyl phosphate	MeSH, HMDB
γ-Glutamyl phosphate	HMDB

Chemical Formula

C₅H₁₀NO₇P

Average Molecular Weight

227.1092

Monoisotopic Molecular Weight

227.019488191

IUPAC Name

(2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid

Traditional Name

L-gamma-glutamyl phosphate

CAS Registry Number

13254-53-0

SMILES

N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1

InChI Key

PJRXVIJAERNUIP-VKHMYHEASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
Alpha-amino acid
L-alpha-amino acid
Acyl monophosphate
Acyl phosphate
Dicarboxylic acid or derivatives
Organic phosphoric acid derivative
Fatty acid
Carboxylic acid salt
Amino acid
Carboxylic acid
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
Amine
Organic oxygen compound
Organic salt
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

gamma-glutamyl phosphate (CHEBI:17798 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	10.9 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	1.12	ChemAxon
pKa (Strongest Basic)	9.51	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	147.15 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	42.45 m³·mol⁻¹	ChemAxon
Polarizability	18.09 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	151.148	31661259
DarkChem	[M-H]-	149.458	31661259
AllCCS	[M+H]+	148.11	32859911
AllCCS	[M-H]-	140.345	32859911
DeepCCS	[M+H]+	135.058	30932474
DeepCCS	[M-H]-	132.662	30932474
DeepCCS	[M-2H]-	167.033	30932474
DeepCCS	[M+Na]+	141.493	30932474
AllCCS	[M+H]+	148.1	32859911
AllCCS	[M+H-H2O]+	144.6	32859911
AllCCS	[M+NH4]+	151.4	32859911
AllCCS	[M+Na]+	152.3	32859911
AllCCS	[M-H]-	140.3	32859911
AllCCS	[M+Na-2H]-	141.3	32859911
AllCCS	[M+HCOO]-	142.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	1.49 minutes	32390414
Predicted by Siyang on May 30, 2022	9.6044 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.36 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	500.4 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	395.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	310.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	26.7 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	193.3 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	74.3 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	310.9 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	225.7 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	980.0 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	589.4 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	42.2 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	604.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	197.9 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	338.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	920.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	560.0 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	593.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
L-Glutamic acid 5-phosphate	N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O	2772.4	Standard polar	33892256
L-Glutamic acid 5-phosphate	N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O	1571.3	Standard non polar	33892256
L-Glutamic acid 5-phosphate	N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O	2185.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
L-Glutamic acid 5-phosphate,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O	1925.8	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@H](N)C(=O)O	2010.5	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O	2035.8	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C	1945.3	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C	2005.4	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C	3195.2	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	1986.4	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2053.6	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3180.1	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #3	C[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C	2012.0	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #3	C[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C	2002.9	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #3	C[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C	3263.9	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2066.3	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2037.8	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2998.8	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #5	C[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C	2158.6	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #5	C[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C	2117.9	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #5	C[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C	3320.8	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1985.3	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2075.0	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2877.2	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2034.2	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2090.6	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2676.7	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2153.2	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2152.4	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2955.0	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2093.1	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2117.7	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2595.4	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2190.3	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2157.8	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2793.0	Standard polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2071.2	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2160.5	Standard non polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2374.2	Standard polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2182.9	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2186.6	Standard non polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2551.8	Standard polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #3	C[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2208.7	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #3	C[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2235.2	Standard non polar	33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #3	C[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2477.0	Standard polar	33892256
L-Glutamic acid 5-phosphate,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2217.2	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2241.1	Standard non polar	33892256
L-Glutamic acid 5-phosphate,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2346.5	Standard polar	33892256
L-Glutamic acid 5-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O	2193.5	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@H](N)C(=O)O	2259.1	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O	2282.7	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2392.6	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2420.4	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3292.9	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	2464.2	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	2436.0	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	3243.1	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C	2439.7	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C	2431.4	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C	3305.9	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	2505.9	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	2449.9	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	3102.0	Standard polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2604.6	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2493.3	Standard non polar	33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3306.3	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2596.4	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2610.5	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3031.0	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2676.4	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2639.4	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2922.1	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2819.8	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2718.3	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3097.8	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2720.5	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2651.2	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2872.8	Standard polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2843.7	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2719.4	Standard non polar	33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2989.5	Standard polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2872.1	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2790.2	Standard non polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2781.2	Standard polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3030.3	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2873.0	Standard non polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2865.6	Standard polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3067.0	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2865.9	Standard non polar	33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2822.1	Standard polar	33892256
L-Glutamic acid 5-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3227.2	Semi standard non polar	33892256
L-Glutamic acid 5-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3005.6	Standard non polar	33892256
L-Glutamic acid 5-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2801.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9100000000-1f025e73303e86357c09	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (1 TMS) - 70eV, Positive	splash10-0fk9-9830000000-dfd0fdd7b5d37360bace	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Positive-QTOF	splash10-01qa-4940000000-e0efc97dbf5f13f5b035	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Positive-QTOF	splash10-001i-9700000000-a154ebeef5e0f0f43204	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Positive-QTOF	splash10-0a4i-9100000000-b1be60027526c9bde31b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Negative-QTOF	splash10-004i-9040000000-9de98862247938227647	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-800f97e7da351e4f9a42	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a620dcfe7b9e2908b2a5	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Negative-QTOF	splash10-004i-9010000000-fd2b2036f447f482b04a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Positive-QTOF	splash10-001i-3970000000-225c75caa9353c31ca4c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Positive-QTOF	splash10-001i-9100000000-5acb01b87dc2c83bc22f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Positive-QTOF	splash10-0a59-9000000000-a92b4200472a0a756a42	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Mitochondria

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022500

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

6093

PubChem Compound

193475

PDB ID

Not Available

ChEBI ID

17798

Food Biomarker Ontology

Not Available

VMH ID

GLU5P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Journal of Heterocyclic Chemistry (1987), 24(1), 279-82.

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Delta-1-pyrroline-5-carboxylate synthase

General function:: Involved in oxidoreductase activity
Specific function:: Bifunctional enzyme that converts glutamate to glutamate 5-semialdehyde, an intermediate in the biosynthesis of proline, ornithine and arginine.
Gene Name:: ALDH18A1
Uniprot ID:: P54886
Molecular weight:: 87088.29

Reactions

Adenosine triphosphate + Glutamic acid → ADP + L-Glutamic acid 5-phosphate	details
L-Glutamic gamma-semialdehyde + Phosphate + NADP → L-Glutamic acid 5-phosphate + NADPH	details
Adenosine triphosphate + Glutamic acid → ADP + L-Glutamic acid 5-phosphate	details
L-Glutamic gamma-semialdehyde + Phosphate + NADP → L-Glutamic acid 5-phosphate + NADPH + Hydrogen Ion	details

Showing metabocard for L-Glutamic acid 5-phosphate (HMDB0001228)

MOL for HMDB0001228 (L-Glutamic acid 5-phosphate)

3D MOL for HMDB0001228 (L-Glutamic acid 5-phosphate)

3D SDF for HMDB0001228 (L-Glutamic acid 5-phosphate)

3D-SDF for HMDB0001228 (L-Glutamic acid 5-phosphate)

PDB for HMDB0001228 (L-Glutamic acid 5-phosphate)

3D PDB for HMDB0001228 (L-Glutamic acid 5-phosphate)

SMILES for HMDB0001228 (L-Glutamic acid 5-phosphate)

INCHI for HMDB0001228 (L-Glutamic acid 5-phosphate)

Structure for HMDB0001228 (L-Glutamic acid 5-phosphate)

3D Structure for HMDB0001228 (L-Glutamic acid 5-phosphate)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions