Showing metabocard for L-Glyceric acid (BMDB0006372)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:21:53 UTC
Update Date2020-04-22 15:17:24 UTC
BMDB IDBMDB0006372
Secondary Accession Numbers
  • BMDB06372
Metabolite Identification
Common NameL-Glyceric acid
DescriptionL-Glyceric acid, also known as (S)-glycerate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. L-Glyceric acid, with regard to humans, has been linked to several inborn metabolic disorders including glycolic aciduria and glutaric acidemia type 2. Based on a literature review a significant number of articles have been published on L-Glyceric acid.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(S)-Glyceric acidChEBI
(S)-GlycerateGenerator
L-GlycerateGenerator
(2S)-2,3-Dihydroxy-propanoateHMDB
(2S)-2,3-Dihydroxy-propanoic acidHMDB
(S)-2,3-Dihydroxy-propanoateHMDB
(S)-2,3-Dihydroxy-propanoic acidHMDB
(S)-2,3-DihydroxypropanoateHMDB
(S)-2,3-Dihydroxypropanoic acidHMDB
Chemical FormulaC3H6O4
Average Molecular Weight106.0773
Monoisotopic Molecular Weight106.02660868
IUPAC Name(2S)-2,3-dihydroxypropanoic acid
Traditional NameL-glycerate
CAS Registry Number28305-26-2
SMILES
OC[C@H](O)C(O)=O
InChI Identifier
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1
InChI KeyRBNPOMFGQQGHHO-REOHCLBHSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Beta-hydroxy acid
  • Glyceric_acid
  • Sugar acid
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • 1,2-diol
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Carbonyl group
  • Organic oxide
  • Primary alcohol
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.7ALOGPS
logP-1.5ChemAxon
logS0.78ALOGPS
pKa (Strongest Acidic)3.42ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area77.76 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity20.38 m³·mol⁻¹ChemAxon
Polarizability8.94 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0006372
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023907
KNApSAcK IDNot Available
Chemspider ID4885497
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG ID2226325
Wikipedia LinkGlyceric acid
METLIN IDNot Available
PubChem Compound6326776
PDB IDNot Available
ChEBI ID74324
References
Synthesis ReferenceLok, C. M.; Ward, J. P.; Van Dorp, D. A. The synthesis of chiral glycerides starting from D- and L-serine. Actes Congr. Mond. - Soc. Int. Etude Corps Gras, 13th (1976), Sect. E 15-20.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available