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CHEBI:57763 - limonoate(2−)

ChEBI IDCHEBI:57763
ChEBI Namelimonoate(2−)
Stars
ASCII Namelimonoate(2-)
DefinitionThe dicarboxylate anion of limonoic acid; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC26H32O10
Net Charge-2
Average Mass504.532
Monoisotopic Mass504.20064
SMILES[H][C@]12CC[C@@](C)([C@@H](O)c3ccoc3)[C@@]3(O[C@@H]3C(=O)[O-])[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)O[C@@]([H])(CC(=O)[O-])[C@]21CO
InChIInChI=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
InChIKeyWOJQWDNWUNSRTA-MSGMIQHVSA-L
ChEBI Ontology
Outgoing Relation(s)
limonoate(2−) (CHEBI:57763) is a dicarboxylic acid dianion (CHEBI:28965)
limonoate(2−) (CHEBI:57763) is conjugate base of limonoic acid (CHEBI:16419)
Incoming Relation(s)
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
Synonym  Source
limonoate dianionChEBI
UniProt Name  Source
limonoateUniProt