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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate ChEBI ID CHEBI:35802 Definition A citrate(1−) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H7O7 Net Charge -1 Average Mass 191.11558 Monoisotopic Mass 191.01973 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-1 InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-M SMILES OC(=O)CC(O)(CC(O)=O)C([O-])=O Roles Classification Biological Role(s): fundamental metabolite Any metabolite produced by all living cells. (via citrate(1-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Numbers Types Sources 330277 Gmelin Registry Number Gmelin 4748248 Beilstein Registry Number Beilstein Last Modified 08 July 2014