CHEBI:189177 - Itatartaric acid

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ChEBI Name Itatartaric acid
ChEBI ID CHEBI:189177
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H8O6
Net Charge 0
Average Mass 164.113
Monoisotopic Mass 164.03209
InChI InChI=1S/C5H8O6/c6-2-5(11,4(9)10)1-3(7)8/h6,11H,1-2H2,(H,7,8)(H,9,10)/t5-/m1/s1
InChIKey QKDVEGVVCQTJPD-RXMQYKEDSA-N
SMILES O[C@](CC(O)=O)(CO)C(O)=O
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Itatartaric acid (CHEBI:189177) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name
(2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid
Manual Xref Database
2340941 ChemSpider
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Registry Number Type Source
9/7/2957 CAS Registry Number ChemIDplus