CHEBI:35810 - 3-carboxy-3-hydroxypentanedioate

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ChEBI Name 3-carboxy-3-hydroxypentanedioate
ChEBI ID CHEBI:35810
Definition A citrate(2−) that is the dianion obtained by the deprotonation of the terminal carboxy groups of citric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H6O7
Net Charge -2
Average Mass 190.10764
Monoisotopic Mass 190.011
InChI InChI=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
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-L
SMILES OC(=O)C(O)(CC([O-])=O)CC([O-])=O
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
(via citrate(2-) )
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ChEBI Ontology
Outgoing 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 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 Number Type Source
330278 Gmelin Registry Number Gmelin
Last Modified
01 March 2016