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CHEBI:35806 - 3,4-dicarboxy-3-hydroxybutanoate

ChEBI IDCHEBI:35806
ChEBI Name3,4-dicarboxy-3-hydroxybutanoate
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)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is a citrate(1−) (CHEBI:35804)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is conjugate acid of 3-carboxy-3-hydroxypentanedioate (CHEBI:35810)
3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806) is tautomer of 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802)
Incoming Relation(s)
2-(carboxymethyl)-2-hydroxysuccinate (CHEBI:35809) is conjugate base of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
3-carboxy-3-hydroxypentanedioate (CHEBI:35810) is conjugate base of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate (CHEBI:35802) is tautomer of 3,4-dicarboxy-3-hydroxybutanoate (CHEBI:35806)
Synonym  Source
3,4-dicarboxy-3-hydroxybutanoateChEBI
Registry NumbersSources
Gmelin:330279Gmelin