CHEBI:57763 - limonoate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name limonoate(2−)
ChEBI ID CHEBI:57763
ChEBI ASCII Name limonoate(2-)
Definition The dicarboxylate anion of limonoic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H32O10
Net Charge -2
Average Mass 504.52630
Monoisotopic Mass 504.20064
InChI InChI=1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/p-2/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKey WOJQWDNWUNSRTA-MSGMIQHVSA-L
SMILES [H][C@@]1(CC([O-])=O)OC(C)(C)[C@]2([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@](C)([C@@H](O)c4ccoc4)[C@@]33O[C@@H]3C([O-])=O)[C@@]12CO
ChEBI Ontology
Outgoing limonoate(2−) (CHEBI:57763) is a dicarboxylic acid dianion (CHEBI:28965)
limonoate(2−) (CHEBI:57763) is conjugate base of limonoic acid (CHEBI:16419)
Incoming limonoic acid (CHEBI:16419) is conjugate acid of limonoate(2−) (CHEBI:57763)
IUPAC Name
(1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(carboxylatomethyl)-7-[(R)-3-furyl(hydroxy)methyl]-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxodecahydro-3H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylate
Synonyms Sources
limonoate UniProt
limonoate dianion ChEBI
Last Modified
13 November 2017