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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1157)transporters (2) Show 1159 proteins XML

enzymes (1157)transporters (2) Show 1159 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 14:17:36 UTC

Update Date

2023-02-21 17:16:10 UTC

HMDB ID

HMDB0002111

Secondary Accession Numbers

HMDB02111

Metabolite Identification

Common Name

Water

Description

Water is a chemical substance that is essential to all known forms of life. It appears colorless to the naked eye in small quantities, though it is actually slightly blue in color. It covers 71% of Earth's surface. Current estimates suggest that there are 1.4 billion cubic kilometers (330 million m3) of it available on Earth, and it exists in many forms. It appears mostly in the oceans (saltwater) and polar ice caps, but it is also present as clouds, rain water, rivers, freshwater aquifers, lakes, and sea ice. Water in these bodies perpetually moves through a cycle of evaporation, precipitation, and runoff to the sea. Clean water is essential to human life. In many parts of the world, it is in short supply. From a biological standpoint, water has many distinct properties that are critical for the proliferation of life that set it apart from other substances. It carries out this role by allowing organic compounds to react in ways that ultimately allow replication. All known forms of life depend on water. Water is vital both as a solvent in which many of the body's solutes dissolve and as an essential part of many metabolic processes within the body. Metabolism is the sum total of anabolism and catabolism. In anabolism, water is removed from molecules (through energy requiring enzymatic chemical reactions) in order to grow larger molecules (e.g. starches, triglycerides and proteins for storage of fuels and information). In catabolism, water is used to break bonds in order to generate smaller molecules (e.g. glucose, fatty acids and amino acids to be used for fuels for energy use or other purposes). Water is thus essential and central to these metabolic processes. Water is also central to photosynthesis and respiration. Photosynthetic cells use the sun's energy to split off water's hydrogen from oxygen. Hydrogen is combined with CO2 (absorbed from air or water) to form glucose and release oxygen. All living cells use such fuels and oxidize the hydrogen and carbon to capture the sun's energy and reform water and CO2 in the process (cellular respiration). Water is also central to acid-base neutrality and enzyme function. An acid, a hydrogen ion (H+, that is, a proton) donor, can be neutralized by a base, a proton acceptor such as hydroxide ion (OH-) to form water. Water is considered to be neutral, with a pH (the negative log of the hydrogen ion concentration) of 7. Acids have pH values less than 7 while bases have values greater than 7. Stomach acid (HCl) is useful to digestion. However, its corrosive effect on the esophagus during reflux can temporarily be neutralized by ingestion of a base such as aluminum hydroxide to produce the neutral molecules water and the salt aluminum chloride. Human biochemistry that involves enzymes usually performs optimally around a biologically neutral pH of 7.4. (Wikipedia ).

Structure

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

View in JSmol View Stereo Labels

Synonyms

Value	Source
[OH2]	ChEBI
Acqua	ChEBI
Agua	ChEBI
Aqua	ChEBI
BOUND water	ChEBI
Dihydridooxygen	ChEBI
Dihydrogen oxide	ChEBI
eau	ChEBI
H2O	ChEBI
HOH	ChEBI
Hydrogen hydroxide	ChEBI
Wasser	ChEBI
Purified water	Kegg
Purified water in containers	Kegg
Water, purified	Kegg
Sterile purified water in containers	Kegg
Water for injection	Kegg
Water for injection in containers	Kegg
Sterile water	Kegg
Steam	HMDB
Hydrogen oxide	HMDB

Chemical Formula

H₂O

Average Molecular Weight

18.0153

Monoisotopic Molecular Weight

18.010564686

IUPAC Name

water

Traditional Name

water

CAS Registry Number

7732-18-5

SMILES

InChI Identifier

InChI=1S/H2O/h1H2

InChI Key

XLYOFNOQVPJJNP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Homogeneous other non-metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous other non-metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous other non metal

Molecular Framework

Not Available

External Descriptors

oxygen hydride (CHEBI:15377 )
mononuclear parent hydride (CHEBI:15377 )
inorganic hydroxy compound (CHEBI:15377 )
a small molecule (WATER )

Ontology

Not Available

Physical Properties

State

Liquid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	0 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	55.5 mol/L	Not Available
LogP	-1.38	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.65	ChemAxon
pKa (Strongest Acidic)	15.7	ChemAxon
pKa (Strongest Basic)	-1.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	25.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	3.7 m³·mol⁻¹	ChemAxon
Polarizability	1.51 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	7.8305 minutes	33406817
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	290.3 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	618.4 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	361.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	143.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	293.3 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	153.1 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	248.1 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	289.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	571.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	541.2 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	62.4 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	606.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	229.2 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	333.9 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	602.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	322.0 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	296.9 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Water	O	728.1	Standard polar	33892256
Water	O	246.8	Standard non polar	33892256
Water	O	71.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Water GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-9000000000-940497ad1005c84fc1f1	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Water GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-014i-9000000000-f7ee14225b4277f6218c	2015-03-01	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Water Linear Ion Trap , positive-QTOF	splash10-0006-0940000000-08a1813d85727d668cf4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Water Linear Ion Trap , positive-QTOF	splash10-0a4l-0980000000-5b109ff45e0e5e5051ae	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 10V, Positive-QTOF	splash10-014i-9000000000-1a741e1ffb75284635fc	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 20V, Positive-QTOF	splash10-014i-9000000000-1a741e1ffb75284635fc	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 40V, Positive-QTOF	splash10-014i-9000000000-1a741e1ffb75284635fc	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 10V, Negative-QTOF	splash10-014i-9000000000-a2a06393708ba68baab0	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 20V, Negative-QTOF	splash10-014i-9000000000-a2a06393708ba68baab0	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 40V, Negative-QTOF	splash10-014i-9000000000-a2a06393708ba68baab0	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 10V, Negative-QTOF	splash10-014i-9000000000-f607d1cf161edb4c9053	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 20V, Negative-QTOF	splash10-014i-9000000000-f607d1cf161edb4c9053	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 40V, Negative-QTOF	splash10-014i-9000000000-f607d1cf161edb4c9053	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 10V, Positive-QTOF	splash10-014i-9000000000-3c10d712de0a101f8fef	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 20V, Positive-QTOF	splash10-014i-9000000000-3c10d712de0a101f8fef	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Water 40V, Positive-QTOF	splash10-014i-9000000000-3c10d712de0a101f8fef	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View

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

Cytoplasm
Extracellular
Mitochondria
Nucleus
Lysosome
Endoplasmic reticulum
Golgi apparatus
Peroxisome

Biospecimen Locations

Amniotic Fluid
Aqueous Humour
Ascites Fluid
Blood
Breast Milk
Cerebrospinal Fluid (CSF)
Lymph
Saliva
Sweat
Tears

Tissue Locations

All Tissues

Pathways

Name	SMPDB/PathBank	KEGG
Citric Acid Cycle
Gluconeogenesis
Phenylalanine and Tyrosine Metabolism
Urea Cycle
Glucose-Alanine Cycle		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Amniotic Fluid	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Aqueous Humour	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Ascites Fluid	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Blood	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658 863843	details
Breast Milk	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Lymph	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Saliva	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Sweat	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details
Tears	Detected and Quantified	55000000 uM	Adult (>18 years old)	Both	Normal	4865985 4860018 4612658	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB09145

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030900

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

15377

Food Biomarker Ontology

Not Available

VMH ID

H2O

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Not Available

Only showing the first 10 proteins. There are 1159 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial

General function:: Involved in monooxygenase activity
Specific function:: Has a role in maintaining calcium homeostasis. Catalyzes the NADPH-dependent 24-hydroxylation of calcidiol (25-hydroxyvitamin D(3)) and calcitriol (1-alpha,25-dihydroxyvitamin D(3)). The enzyme can perform up to 6 rounds of hydroxylation of calcitriol leading to calcitroic acid. It also shows 23-hydroxylating activity leading to 1-alpha,25-dihydroxyvitamin D(3)-26,23-lactone as end product.
Gene Name:: CYP24A1
Uniprot ID:: Q07973
Molecular weight:: 58874.695

Reactions

Calcitriol + NADPH + Oxygen → 24-Hydroxycalcitriol + NADP + Water	details
Calcidiol + NADPH + Oxygen → (24R)-24,25-Dihydroxycalciol + NADP + Water	details
Calcitriol + NADPH + Hydrogen Ion + Oxygen → 24-Hydroxycalcitriol + NADP + Water	details
Calcidiol + NADPH + Hydrogen Ion + Oxygen → Secalciferol + NADP + Water	details

Enzyme Details

2. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes.
Gene Name:: PLCB1
Uniprot ID:: Q9NQ66
Molecular weight:: 138565.805

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

3. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-2

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes.
Gene Name:: PLCB2
Uniprot ID:: Q00722
Molecular weight:: 134023.21

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

4. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes.
Gene Name:: PLCB3
Uniprot ID:: Q01970
Molecular weight:: 138797.725

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

5. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-4

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes. This form has a role in retina signal transduction.
Gene Name:: PLCB4
Uniprot ID:: Q15147
Molecular weight:: 136105.065

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

6. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes. Essential for trophoblast and placental development.
Gene Name:: PLCD1
Uniprot ID:: P51178
Molecular weight:: 88134.23

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

7. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-3

General function:: Involved in calcium ion binding
Specific function:: Hydrolyzes the phosphatidylinositol 4,5-bisphosphate (PIP2) to generate 2 second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3). DAG mediates the activation of protein kinase C (PKC), while IP3 releases Ca(2+) from intracellular stores. Essential for trophoblast and placental development. May participate in cytokinesis by hydrolyzing PIP2 at the cleavage furrow.
Gene Name:: PLCD3
Uniprot ID:: Q8N3E9
Molecular weight:: 89257.54

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

8. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-4

General function:: Involved in calcium ion binding
Specific function:: Hydrolyzes the phosphatidylinositol 4,5-bisphosphate (PIP2) to generate 2 second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3). DAG mediates the activation of protein kinase C (PKC), while IP3 releases Ca(2+) from intracellular stores. Required for acrosome reaction in sperm during fertilization, probably by acting as an important enzyme for intracellular Ca(2+) mobilization in the zona pellucida-induced acrosome reaction. May play a role in cell growth. Modulates the liver regeneration in cooperation with nuclear PKC. Overexpression up-regulates the Erk signaling pathway and proliferation.
Gene Name:: PLCD4
Uniprot ID:: Q9BRC7
Molecular weight:: 87584.515

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

9. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes. PLCE1 is a bifunctional enzyme which also regulates small GTPases of the Ras superfamily through its Ras guanine-exchange factor (RasGEF) activity. As an effector of heterotrimeric and small G-protein, it may play a role in cell survival, cell growth, actin organization and T-cell activation.
Gene Name:: PLCE1
Uniprot ID:: Q9P212
Molecular weight:: 223869.895

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details
1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + 1,2-Diacyl-sn-glycerol	details

Enzyme Details

10. 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-1

General function:: Involved in calcium ion binding
Specific function:: The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by calcium-activated phosphatidylinositol-specific phospholipase C enzymes.
Gene Name:: PLCH1
Uniprot ID:: Q4KWH8
Molecular weight:: 189221.52

Reactions

1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + Water → myo-Inositol 1,4,5-trisphosphate + DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	details

Transporters

Enzyme Details

1. Copper-transporting ATPase 1

General function:: Involved in ATP binding
Specific function:: May supply copper to copper-requiring proteins within the secretory pathway, when localized in the trans-Golgi network. Under conditions of elevated extracellular copper, it relocalized to the plasma membrane where it functions in the efflux of copper from cells.
Gene Name:: ATP7A
Uniprot ID:: Q04656
Molecular weight:: 163372.275

Enzyme Details

2. Copper-transporting ATPase 2

General function:: Involved in ATP binding
Specific function:: Involved in the export of copper out of the cells, such as the efflux of hepatic copper into the bile.
Gene Name:: ATP7B
Uniprot ID:: P35670
Molecular weight:: 157261.34

Only showing the first 10 proteins. There are 1159 proteins in total.

Show all enzymes and transporters

Showing metabocard for Water (HMDB0002111)

MOL for HMDB0002111 (Water)

3D MOL for HMDB0002111 (Water)

3D SDF for HMDB0002111 (Water)

3D-SDF for HMDB0002111 (Water)

PDB for HMDB0002111 (Water)

3D PDB for HMDB0002111 (Water)

SMILES for HMDB0002111 (Water)

INCHI for HMDB0002111 (Water)

Structure for HMDB0002111 (Water)

3D Structure for HMDB0002111 (Water)

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

Reactions

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Transporters