Record Information
Version1.0
Creation date2010-04-08 22:10:57 UTC
Update date2019-11-26 03:09:12 UTC
Primary IDFDB013880
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHydroxypropanedioic acid
DescriptionTartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. Hydroxypropanedioic acid is found in potato.
CAS Number80-69-3
Structure
Thumb
Synonyms
SynonymSource
2-Hydroxymalonatebiospider
2-Hydroxymalonic acidbiospider
2-HydroxypropanedioateGenerator
2-Hydroxypropanedioic acidbiospider
2-TartronateGenerator
2-Tartronic acidbiospider
Hydroxy-malonic acidHMDB
Hydroxymalonatebiospider
Hydroxymalonic aciddb_source
Malonic acid, hydroxy-biospider
Propanedioic acid, hydroxy- (9CI)biospider
TartronateGenerator
Tartronic acidChEBI
Tartronic acid, 8CIdb_source
Predicted PropertiesNot Available
Chemical FormulaC3H4O5
IUPAC name
InChI IdentifierInChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
InChI KeyROBFUDYVXSDBQM-UHFFFAOYSA-N
Isomeric SMILESOC(C(O)=O)C(O)=O
Average Molecular Weight120.0609
Monoisotopic Molecular Weight120.005873238
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 30.01%; H 3.36%; O 66.63%DFC
Melting PointMp 156-158° (rapid heating)DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKapKa2 4.74 (25°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID44
ChEMBL IDNot Available
KEGG Compound IDC02287
Pubchem Compound ID45
Pubchem Substance IDNot Available
ChEBI ID16513
Phenol-Explorer IDNot Available
DrugBank IDDB03680
HMDB IDHMDB35227
CRC / DFC (Dictionary of Food Compounds) IDJJM09-U:JJM09-U
EAFUS IDNot Available
Dr. Duke IDHYDROXYMALONIC-ACID
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDHydroxypropanedioic_acid
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).