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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:36 UTC
Update Date2019-05-01 16:55:49 UTC
HMDB IDHMDB0002111
Secondary Accession Numbers
  • HMDB02111
Metabolite Identification
Common NameWater
DescriptionWater 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
Data?1547234200
Synonyms
ValueSource
[OH2]ChEBI
AcquaChEBI
AguaChEBI
AquaChEBI
BOUND waterChEBI
DihydridooxygenChEBI
Dihydrogen oxideChEBI
eauChEBI
H2OChEBI
HOHChEBI
Hydrogen hydroxideChEBI
WasserChEBI
Purified waterKegg
Purified water in containersKegg
Water, purifiedKegg
Sterile purified water in containersKegg
Water for injectionKegg
Water for injection in containersKegg
Sterile waterKegg
SteamHMDB
Hydrogen oxideHMDB
Chemical FormulaH2O
Average Molecular Weight18.0153
Monoisotopic Molecular Weight18.010564686
IUPAC Namewater
Traditional Namewater
CAS Registry Number7732-18-5
SMILES
O
InChI Identifier
InChI=1S/H2O/h1H2
InChI KeyXLYOFNOQVPJJNP-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'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Biological role:

Industrial application:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point0 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility55.5 mol/LNot Available
LogP-1.38HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
logP-0.65ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area25.3 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity3.7 m³·mol⁻¹ChemAxon
Polarizability1.51 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-9000000000-940497ad1005c84fc1f1JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0006-0940000000-08a1813d85727d668cf4JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0a4l-0980000000-5b109ff45e0e5e5051aeJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-1a741e1ffb75284635fcJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-1a741e1ffb75284635fcJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-1a741e1ffb75284635fcJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-a2a06393708ba68baab0JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-a2a06393708ba68baab0JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-a2a06393708ba68baab0JSpectraViewer | MoNA
MSMass Spectrum (Electron Ionization)splash10-014i-9000000000-f7ee14225b4277f6218cJSpectraViewer | MoNA
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
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
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Amniotic FluidDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
Aqueous HumourDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
Ascites FluidDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
Breast MilkDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified55000000 uMAdult (>18 years old)BothNormal details
LymphDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
SalivaDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
SweatDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
TearsDetected and Quantified55000000 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDBMET01514
Phenol Explorer Compound IDNot Available
FoodDB IDFDB013390
KNApSAcK IDNot Available
Chemspider ID937
KEGG Compound IDC00001
BioCyc IDWATER
BiGG ID33474
Wikipedia LinkWater
METLIN ID3194
PubChem Compound962
PDB IDNot Available
ChEBI ID15377
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

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

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Hydrolyzes extracellular nucleotides into membrane permeable nucleosides.
Gene Name:
NT5E
Uniprot ID:
P21589
Molecular weight:
57948.125
Reactions
A 5'-ribonucleotide + Water → a ribonucleoside + Phosphoric aciddetails
Adenosine monophosphate + Water → Adenosine + Phosphoric aciddetails
Cytidine monophosphate + Water → Cytidine + Phosphoric aciddetails
Uridine 5'-monophosphate + Water → Uridine + Phosphoric aciddetails
Inosinic acid + Water → Inosine + Phosphoric aciddetails
Guanosine monophosphate + Water → Guanosine + Phosphoric aciddetails
5-Thymidylic acid + Water → Thymidine + Phosphoric aciddetails
dCMP + Water → Deoxycytidine + Phosphoric aciddetails
2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphoric aciddetails
Deoxyadenosine monophosphate + Water → Deoxyadenosine + Phosphoric aciddetails
beta-nicotinamide D-ribonucleotide + Water → Nicotinamide riboside + Phosphoric aciddetails
Xanthylic acid + Water → Xanthosine + Phosphoric aciddetails
nicotinate beta-D-ribonucleotide + Water → Nicotinate D-ribonucleoside + Phosphoric aciddetails
General function:
Involved in zinc ion binding
Specific function:
Supplies the nucleotide substrate for thymidylate synthetase.
Gene Name:
DCTD
Uniprot ID:
P32321
Molecular weight:
21013.96
Reactions
dCMP + Water → dUMP + Ammoniadetails
General function:
Involved in nucleotide binding
Specific function:
Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides. Helps to regulate adenosine levels (By similarity).
Gene Name:
NT5C1B
Uniprot ID:
Q96P26
Molecular weight:
68803.055
Reactions
A 5'-ribonucleotide + Water → a ribonucleoside + Phosphoric aciddetails
Adenosine monophosphate + Water → Adenosine + Phosphoric aciddetails
Cytidine monophosphate + Water → Cytidine + Phosphoric aciddetails
Uridine 5'-monophosphate + Water → Uridine + Phosphoric aciddetails
Inosinic acid + Water → Inosine + Phosphoric aciddetails
Guanosine monophosphate + Water → Guanosine + Phosphoric aciddetails
5-Thymidylic acid + Water → Thymidine + Phosphoric aciddetails
dCMP + Water → Deoxycytidine + Phosphoric aciddetails
2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphoric aciddetails
Deoxyadenosine monophosphate + Water → Deoxyadenosine + Phosphoric aciddetails
beta-nicotinamide D-ribonucleotide + Water → Nicotinamide riboside + Phosphoric aciddetails
Xanthylic acid + Water → Xanthosine + Phosphoric aciddetails
nicotinate beta-D-ribonucleotide + Water → Nicotinate D-ribonucleoside + Phosphoric aciddetails
General function:
Involved in nucleotide binding
Specific function:
Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides and has a broad substrate specificity. Helps to regulate adenosine levels in heart during ischemia and hypoxia.
Gene Name:
NT5C1A
Uniprot ID:
Q9BXI3
Molecular weight:
41020.145
Reactions
A 5'-ribonucleotide + Water → a ribonucleoside + Phosphoric aciddetails
Adenosine monophosphate + Water → Adenosine + Phosphoric aciddetails
Cytidine monophosphate + Water → Cytidine + Phosphoric aciddetails
Uridine 5'-monophosphate + Water → Uridine + Phosphoric aciddetails
Inosinic acid + Water → Inosine + Phosphoric aciddetails
Guanosine monophosphate + Water → Guanosine + Phosphoric aciddetails
5-Thymidylic acid + Water → Thymidine + Phosphoric aciddetails
dCMP + Water → Deoxycytidine + Phosphoric aciddetails
2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphoric aciddetails
Deoxyadenosine monophosphate + Water → Deoxyadenosine + Phosphoric aciddetails
beta-nicotinamide D-ribonucleotide + Water → Nicotinamide riboside + Phosphoric aciddetails
Xanthylic acid + Water → Xanthosine + Phosphoric aciddetails
nicotinate beta-D-ribonucleotide + Water → Nicotinate D-ribonucleoside + Phosphoric aciddetails
General function:
Involved in metal ion binding
Specific function:
Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides, with a preference for dUMP and dTMP, intermediate activity towards dGMP, and low activity towards dCMP and dAMP.
Gene Name:
NT5C
Uniprot ID:
Q8TCD5
Molecular weight:
Not Available
Reactions
Adenosine monophosphate + Water → Adenosine + Phosphoric aciddetails
Cytidine monophosphate + Water → Cytidine + Phosphoric aciddetails
Uridine 5'-monophosphate + Water → Uridine + Phosphoric aciddetails
Inosinic acid + Water → Inosine + Phosphoric aciddetails
Guanosine monophosphate + Water → Guanosine + Phosphoric aciddetails
5-Thymidylic acid + Water → Thymidine + Phosphoric aciddetails
dCMP + Water → Deoxycytidine + Phosphoric aciddetails
2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphoric aciddetails
Deoxyadenosine monophosphate + Water → Deoxyadenosine + Phosphoric aciddetails
beta-nicotinamide D-ribonucleotide + Water → Nicotinamide riboside + Phosphoric aciddetails
Xanthylic acid + Water → Xanthosine + Phosphoric aciddetails
nicotinate beta-D-ribonucleotide + Water → Nicotinate D-ribonucleoside + Phosphoric aciddetails
General function:
Involved in phosphatase activity
Specific function:
Dephosphorylates specifically the 5' and 2'(3')-phosphates of uracil and thymine deoxyribonucleotides, and so protects mitochondrial DNA replication from excess dTTP. Has only marginal activity towards dIMP and dGMP.
Gene Name:
NT5M
Uniprot ID:
Q9NPB1
Molecular weight:
Not Available
Reactions
Adenosine monophosphate + Water → Adenosine + Phosphoric aciddetails
Cytidine monophosphate + Water → Cytidine + Phosphoric aciddetails
Uridine 5'-monophosphate + Water → Uridine + Phosphoric aciddetails
Inosinic acid + Water → Inosine + Phosphoric aciddetails
Guanosine monophosphate + Water → Guanosine + Phosphoric aciddetails
5-Thymidylic acid + Water → Thymidine + Phosphoric aciddetails
dCMP + Water → Deoxycytidine + Phosphoric aciddetails
2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphoric aciddetails
Deoxyadenosine monophosphate + Water → Deoxyadenosine + Phosphoric aciddetails
beta-nicotinamide D-ribonucleotide + Water → Nicotinamide riboside + Phosphoric aciddetails
Xanthylic acid + Water → Xanthosine + Phosphoric aciddetails
nicotinate beta-D-ribonucleotide + Water → Nicotinate D-ribonucleoside + Phosphoric aciddetails
General function:
Lipid transport and metabolism
Specific function:
Hydrolyzes acetyl-CoA to acetate and CoA.
Gene Name:
ACOT12
Uniprot ID:
Q8WYK0
Molecular weight:
62033.46
Reactions
Acetyl-CoA + Water → Coenzyme A + Acetic aciddetails
General function:
Involved in transferase activity
Specific function:
Fatty acid synthetase catalyzes the formation of long-chain fatty acids from acetyl-CoA, malonyl-CoA and NADPH. This multifunctional protein has 7 catalytic activities and an acyl carrier protein.
Gene Name:
FASN
Uniprot ID:
P49327
Molecular weight:
273424.06
Reactions
A (3R)-3-hydroxyacyl-[acyl-carrier protein] → a trans-2-enoyl-[acyl-carrier protein] + Waterdetails
Oleoyl-[acyl-carrier-protein] + Water → [acyl-carrier-protein] + Oleic aciddetails
Hexadecanoyl-[acp] + Water → Acyl-carrier protein + Palmitic aciddetails
(3R)-3-Hydroxybutanoyl-[acyl-carrier protein] → But-2-enoyl-[acyl-carrier protein] + Waterdetails
(3R)-3-Hydroxydecanoyl-[acyl-carrier protein] → trans-Dec-2-enoyl-[acp] + Waterdetails
(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein] → trans-Oct-2-enoyl-[acp] + Waterdetails
(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein] → trans-Hexadec-2-enoyl-[acp] + Waterdetails
(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein] → trans-Tetradec-2-enoyl-[acp] + Waterdetails
(R)-3-Hydroxyhexanoyl-[acp] → trans-Hex-2-enoyl-[acp] + Waterdetails
(R)-3-Hydroxydodecanoyl-[acp] → trans-Dodec-2-enoyl-[acp] + Waterdetails
Tetradecanoyl-[acp] + Water → Acyl-carrier protein + Myristic aciddetails
General function:
Involved in hydroxymethylglutaryl-CoA synthase activity
Specific function:
This enzyme condenses acetyl-CoA with acetoacetyl-CoA to form HMG-CoA, which is the substrate for HMG-CoA reductase.
Gene Name:
HMGCS2
Uniprot ID:
P54868
Molecular weight:
52481.065
Reactions
Acetyl-CoA + Water + Acetoacetyl-CoA → 3-Hydroxy-3-methylglutaryl-CoA + Coenzyme Adetails
3-Hydroxy-3-methylglutaryl-CoA + Coenzyme A → Acetyl-CoA + Water + Acetoacetyl-CoAdetails
General function:
Involved in transferase activity, transferring acyl groups, acyl groups converted into alkyl on transfer
Specific function:
Not Available
Gene Name:
CS
Uniprot ID:
O75390
Molecular weight:
51712.025
Reactions
Acetyl-CoA + Water + Oxalacetic acid → Citric acid + Coenzyme Adetails
Citric acid + Coenzyme A → Acetyl-CoA + Water + Oxalacetic aciddetails

Transporters

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
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

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