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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-08 21:40:45 UTC

Update Date

2023-02-21 17:18:41 UTC

HMDB ID

HMDB0029223

Secondary Accession Numbers

HMDB29223

Metabolite Identification

Common Name

alpha-Methylphenylalanine

Description

alpha-Methylphenylalanine, also known as α-methyl-DL-phenylalanine, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Based on a literature review a significant number of articles have been published on alpha-Methylphenylalanine.

Structure

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

HEADER    PROTEIN                                 08-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-12         0                                  
HETATM    1  C   UNK     0      -1.980  -0.605   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.314  -1.375   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.314  -2.915   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.980  -3.685   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.646  -2.915   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.646  -1.375   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.980   0.935   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.891   2.024   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.198   3.113   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.738   3.113   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.198   4.653   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.443   1.254   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -1.980   3.113   0.000  0.00  0.00           N+0
CONECT    1    2    6    7                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    1    8                                                       
CONECT    8    7    9   12   13                                             
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8                                                            
CONECT   13    8                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
a-Methylphenylalanine	Generator
Α-methylphenylalanine	Generator
2-Amino-2-methyl-3-phenylpropanoate	HMDB
alpha-Methylphenylalanine, hydrochloride, (D-phe)-isomer	HMDB
alpha-Methylphenylalanine, hydrochloride, (DL-phe)-isomer	HMDB
alpha-Methylphenylalanine, hydrochloride, (L-phe)-isomer	HMDB
alpha-Methylphenylalanine, (D-phe)-isomer	HMDB
alpha-Methylphenylalanine, (DL-phe)-isomer	HMDB
alpha-Methylphenylalanine, (L-phe)-isomer	HMDB
a-Methyl-DL-phenylalanine	HMDB
Α-methyl-DL-phenylalanine	HMDB
alpha-Methylphenylalanine	MeSH

Chemical Formula

C₁₀H₁₃NO₂

Average Molecular Weight

179.2157

Monoisotopic Molecular Weight

179.094628665

IUPAC Name

2-amino-2-methyl-3-phenylpropanoic acid

Traditional Name

2-amino-2-methyl-3-phenylpropanoic acid

CAS Registry Number

Not Available

SMILES

CC(N)(CC1=CC=CC=C1)C(O)=O

InChI Identifier

InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)

InChI Key

HYOWVAAEQCNGLE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Sub Class

Not Available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Substituents

3-phenylpropanoic-acid
Alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Phenylpropane
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Amino acid or derivatives
Amino acid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Organic oxide
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Primary amine
Amine
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

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	5 g/L	ALOGPS
logP	-1	ALOGPS
logP	-0.75	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	2.5	ChemAxon
pKa (Strongest Basic)	9.69	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	49.83 m³·mol⁻¹	ChemAxon
Polarizability	18.86 Å³	ChemAxon
Number of Rings	1	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]+	140.666	31661259
DarkChem	[M-H]-	135.735	31661259
DeepCCS	[M+H]+	136.147	30932474
DeepCCS	[M-H]-	132.32	30932474
DeepCCS	[M-2H]-	169.691	30932474
DeepCCS	[M+Na]+	145.23	30932474
AllCCS	[M+H]+	139.1	32859911
AllCCS	[M+H-H2O]+	134.9	32859911
AllCCS	[M+NH4]+	143.1	32859911
AllCCS	[M+Na]+	144.2	32859911
AllCCS	[M-H]-	139.6	32859911
AllCCS	[M+Na-2H]-	140.6	32859911
AllCCS	[M+HCOO]-	141.6	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.	2.02 minutes	32390414
Predicted by Siyang on May 30, 2022	9.8983 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.94 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	184.4 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
alpha-Methylphenylalanine	CC(N)(CC1=CC=CC=C1)C(O)=O	2633.3	Standard polar	33892256
alpha-Methylphenylalanine	CC(N)(CC1=CC=CC=C1)C(O)=O	1449.2	Standard non polar	33892256
alpha-Methylphenylalanine	CC(N)(CC1=CC=CC=C1)C(O)=O	1676.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
alpha-Methylphenylalanine,1TMS,isomer #1	CC(N)(CC1=CC=CC=C1)C(=O)O[Si](C)(C)C	1565.1	Semi standard non polar	33892256
alpha-Methylphenylalanine,1TMS,isomer #2	CC(CC1=CC=CC=C1)(N[Si](C)(C)C)C(=O)O	1648.7	Semi standard non polar	33892256
alpha-Methylphenylalanine,2TMS,isomer #1	CC(CC1=CC=CC=C1)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1643.2	Semi standard non polar	33892256
alpha-Methylphenylalanine,2TMS,isomer #1	CC(CC1=CC=CC=C1)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1686.1	Standard non polar	33892256
alpha-Methylphenylalanine,2TMS,isomer #2	CC(CC1=CC=CC=C1)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1840.4	Semi standard non polar	33892256
alpha-Methylphenylalanine,2TMS,isomer #2	CC(CC1=CC=CC=C1)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1766.1	Standard non polar	33892256
alpha-Methylphenylalanine,3TMS,isomer #1	CC(CC1=CC=CC=C1)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1860.0	Semi standard non polar	33892256
alpha-Methylphenylalanine,3TMS,isomer #1	CC(CC1=CC=CC=C1)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1828.0	Standard non polar	33892256
alpha-Methylphenylalanine,1TBDMS,isomer #1	CC(N)(CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C	1812.7	Semi standard non polar	33892256
alpha-Methylphenylalanine,1TBDMS,isomer #2	CC(CC1=CC=CC=C1)(N[Si](C)(C)C(C)(C)C)C(=O)O	1899.9	Semi standard non polar	33892256
alpha-Methylphenylalanine,2TBDMS,isomer #1	CC(CC1=CC=CC=C1)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2109.0	Semi standard non polar	33892256
alpha-Methylphenylalanine,2TBDMS,isomer #1	CC(CC1=CC=CC=C1)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2104.8	Standard non polar	33892256
alpha-Methylphenylalanine,2TBDMS,isomer #2	CC(CC1=CC=CC=C1)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2302.8	Semi standard non polar	33892256
alpha-Methylphenylalanine,2TBDMS,isomer #2	CC(CC1=CC=CC=C1)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2173.5	Standard non polar	33892256
alpha-Methylphenylalanine,3TBDMS,isomer #1	CC(CC1=CC=CC=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2532.8	Semi standard non polar	33892256
alpha-Methylphenylalanine,3TBDMS,isomer #1	CC(CC1=CC=CC=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2415.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9400000000-8693856b7ebd46028a63	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (1 TMS) - 70eV, Positive	splash10-0006-9500000000-1c0774497a68191729b1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-Methylphenylalanine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	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 - alpha-Methylphenylalanine 10V, Positive-QTOF	splash10-001i-0900000000-0f6eecd6cec27b546600	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 20V, Positive-QTOF	splash10-001i-2900000000-c5666ae92da7850e89fe	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 40V, Positive-QTOF	splash10-0006-9400000000-24d32f10a470e037f6cc	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 10V, Negative-QTOF	splash10-004i-0900000000-b095d20c24fa61b85a40	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 20V, Negative-QTOF	splash10-005i-6900000000-b6240b2bfb4f9701787c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 40V, Negative-QTOF	splash10-00l6-8900000000-bbd41f94a7130dcb2077	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 10V, Negative-QTOF	splash10-004l-3900000000-13907a76b4a5975aee8a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 20V, Negative-QTOF	splash10-014i-4900000000-a58fdc5f38658c886c76	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 40V, Negative-QTOF	splash10-014l-9700000000-17cd851b9dd640f25961	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 10V, Positive-QTOF	splash10-001i-1900000000-490c647484a64a1b4bd3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 20V, Positive-QTOF	splash10-014i-2900000000-4cfbe93b4c0531391d9e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-Methylphenylalanine 40V, Positive-QTOF	splash10-0006-9100000000-0be2b8f0f765d186e28e	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

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

Colorectal cancer

Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

97158

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

108055

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for alpha-Methylphenylalanine (HMDB0029223)

MOL for HMDB0029223 (alpha-Methylphenylalanine)

3D MOL for HMDB0029223 (alpha-Methylphenylalanine)

3D SDF for HMDB0029223 (alpha-Methylphenylalanine)

3D-SDF for HMDB0029223 (alpha-Methylphenylalanine)

PDB for HMDB0029223 (alpha-Methylphenylalanine)

3D PDB for HMDB0029223 (alpha-Methylphenylalanine)

SMILES for HMDB0029223 (alpha-Methylphenylalanine)

INCHI for HMDB0029223 (alpha-Methylphenylalanine)

Structure for HMDB0029223 (alpha-Methylphenylalanine)

3D Structure for HMDB0029223 (alpha-Methylphenylalanine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra