Human Metabolome Database Version 3.5

Showing metabocard for Tartronate semialdehyde (HMDB06938)

Record Information
Version 3.5
Creation Date 2008-09-10 18:41:42 -0600
Update Date 2013-02-08 17:15:32 -0700
HMDB ID HMDB06938
Secondary Accession Numbers
  • HMDB06781
Metabolite Identification
Common Name Tartronate semialdehyde
Description Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20].
Structure Thumb
Download: MOL | SDF | PDB | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. 2-Hydroxy-3-oxopropanoate
  2. 2-Hydroxy-3-oxopropanoic acid
Chemical Formula C3H4O4
Average Molecular Weight 104.0615
Monoisotopic Molecular Weight 104.010958616
IUPAC Name 2-hydroxy-3-oxopropanoic acid
Traditional IUPAC Name 2-hydroxy-3-oxopropanoic acid
CAS Registry Number Not Available
SMILES OC(C=O)C(O)=O
InChI Identifier InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)
InChI Key QWBAFPFNGRFSFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Organic Acids and Derivatives
Class Hydroxy Acids and Derivatives
Sub Class Alpha Hydroxy Acids and Derivatives
Other Descriptors
  • 2-hydroxy monocarboxylic acid(ChEBI)
  • 3-oxo monocarboxylic acid(ChEBI)
  • Aliphatic Acyclic Compounds
Substituents
  • Aldehyde
  • Carboxylic Acid
  • Secondary Alcohol
Direct Parent Alpha Hydroxy Acids and Derivatives
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental 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
Predicted Properties
Property Value Source
Water Solubility 327 g/L ALOGPS
LogP -0.92 ALOGPS
LogP -1.2 ChemAxon
LogS 0.50 ALOGPS
pKa (strongest acidic) 3.04 ChemAxon
pKa (strongest basic) -4.5 ChemAxon
Hydrogen Acceptor Count 4 ChemAxon
Hydrogen Donor Count 2 ChemAxon
Polar Surface Area 74.6 A2 ChemAxon
Rotatable Bond Count 2 ChemAxon
Refractivity 19.4 ChemAxon
Polarizability 8.1 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge -1 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB024155
KNApSAcK ID Not Available
Chemspider ID 1090 Link_out
KEGG Compound ID C01146 Link_out
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB06938 Link_out
Metagene Link HMDB06938 Link_out
METLIN ID Not Available
PubChem Compound 1122 Link_out
PDB ID Not Available
ChEBI ID 16992 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available

Enzymes
Name: Putative hydroxypyruvate isomerase
Reactions:
Hydroxypyruvic acid unknown Tartronate semialdehyde details
Gene Name: HYI
Uniprot ID: Q5T013 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA