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CHEBI:35810 - 3-carboxy-3-hydroxypentanedioate

ChEBI IDCHEBI:35810
ChEBI Name3-carboxy-3-hydroxypentanedioate
Stars
DefinitionA citrate(2−) that is the dianion obtained by the deprotonation of the terminal carboxy groups of citric acid.
Last Modified1 March 2016
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)
3-carboxy-3-hydroxypentanedioate (CHEBI:35810) is a citrate(2−) (CHEBI:35808)
3-carboxy-3-hydroxypentanedioate (CHEBI:35810) is conjugate base of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
3-carboxy-3-hydroxypentanedioate (CHEBI:35810) is tautomer of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
Incoming Relation(s)
magnesium citrate (CHEBI:131389) has part 3-carboxy-3-hydroxypentanedioate (CHEBI:35810)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is conjugate acid of 3-carboxy-3-hydroxypentanedioate (CHEBI:35810)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is tautomer of 3-carboxy-3-hydroxypentanedioate (CHEBI:35810)
IUPAC Name 
3-carboxy-3-hydroxypentanedioate
Registry NumbersSources
Gmelin:330278Gmelin