CHEBI:140468 - gypsogenate(2−)

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ChEBI Name gypsogenate(2−)
ChEBI ID CHEBI:140468
ChEBI ASCII Name gypsogenate(2-)
Definition A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of gypsogenic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C30H44O5
Net Charge -2
Average Mass 484.668
Monoisotopic Mass 484.31997
InChI InChI=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
InChIKey PAIBKVQNJKUVCE-JUENUIDLSA-L
SMILES O=C([O-])[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C
ChEBI Ontology
Outgoing 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 gypsogenic acid (CHEBI:71531) is conjugate acid of gypsogenate(2−) (CHEBI:140468)
IUPAC Name
3β-hydroxyolean-12-ene-23,28-dioate
Synonyms Sources
(3β)-3-hydroxyolean-12-ene-23,28-dioate IUPAC
gypsogenate UniProt
Manual Xref Database
CPD-9474 MetaCyc
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Last Modified
18 August 2021