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CHEBI:35809 - 2-(carboxymethyl)-2-hydroxysuccinate

ChEBI IDCHEBI:35809
ChEBI Name2-(carboxymethyl)-2-hydroxysuccinate
Stars
DefinitionA citrate(2−) that is the conjugate base of 3,4-dicarboxy-3-hydroxybutanoate.
Last Modified8 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H6O7
Net Charge-2
Average Mass190.107
Monoisotopic Mass190.01245
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-2
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-L
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is a citrate(2−) (CHEBI:35808)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is conjugate base of 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is conjugate base of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is tautomer of 3-carboxy-3-hydroxypentanedioate (CHEBI:35810)
Incoming Relation(s)
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802) is conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
3-carboxy-3-hydroxypentanedioate (CHEBI:35810) is tautomer of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
IUPAC Name 
2-(carboxymethyl)-2-hydroxybutanedioate
Registry NumbersSources
Gmelin:1342048Gmelin
Beilstein:3673370Beilstein