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CHEBI:35802 - 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate

ChEBI IDCHEBI:35802
ChEBI Name3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Stars
DefinitionA citrate(1−) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.
Last Modified8 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H7O7
Net Charge-1
Average Mass191.115
Monoisotopic Mass191.01973
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)[O-]
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-M
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802) is a citrate(1−) (CHEBI:35804)
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802) is conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802) is tautomer of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
Incoming Relation(s)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is conjugate base of 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is tautomer of 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802)
IUPAC Name 
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Registry NumbersSources
Gmelin:330277Gmelin
Beilstein:4748248Beilstein