CHEBI:172950 - Isocitric acid, DL-

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isocitric acid, DL-
ChEBI ID CHEBI:172950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H5O7.Na.Na.Na
Net Charge 0
Average Mass 258.068
Monoisotopic Mass 257.97284
InChI InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
InChIKey HWMVXEKEEAIYGB-UHFFFAOYSA-K
SMILES [Na+].[Na+].[Na+].OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
Metabolite of Species Details
Reference compound Found in pure substance (CHEBI:60003). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Isocitric acid, DL- (CHEBI:172950) is a carbonyl compound (CHEBI:36586)
IUPAC Name
trisodium;1-hydroxypropane-1,2,3-tricarboxylate
Manual Xref Database
147773 ChemSpider
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Registry Number Type Source
1637-73-6 CAS Registry Number ChemIDplus