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CHEBI:140468 - gypsogenate(2−)

ChEBI IDCHEBI:140468
ChEBI Namegypsogenate(2−)
Stars
ASCII Namegypsogenate(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of gypsogenic acid; major species at pH 7.3.
Last Modified18 August 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H44O5
Net Charge-2
Average Mass484.677
Monoisotopic Mass484.31997
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)[O-]
InChIInChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/p-2/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKeyPAIBKVQNJKUVCE-JUENUIDLSA-L
ChEBI Ontology
Outgoing Relation(s)
gypsogenate(2−) (CHEBI:140468) is a dicarboxylic acid dianion (CHEBI:28965)
gypsogenate(2−) (CHEBI:140468) is a isoprenoid (CHEBI:24913)
gypsogenate(2−) (CHEBI:140468) is conjugate base of gypsogenic acid (CHEBI:71531)
Incoming Relation(s)
gypsogenic acid (CHEBI:71531) is conjugate acid of gypsogenate(2−) (CHEBI:140468)
IUPAC Name 
3β-hydroxyolean-12-ene-23,28-dioate
Synonym  Source
(3β)-3-hydroxyolean-12-ene-23,28-dioateIUPAC
UniProt Name  Source
gypsogenateUniProt
Manual XrefsDatabases
CPD-9474MetaCyc