CHEBI:140467 - gypsogenin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gypsogenin(1−)
ChEBI ID CHEBI:140467
ChEBI ASCII Name gypsogenin(1-)
Definition A monocarboxylic acid anion that is the conjugate base of gypsogenin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H45O4
Net Charge -1
Average Mass 469.677
Monoisotopic Mass 469.33233
InChI InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey QMHCWDVPABYZMC-MYPRUECHSA-M
SMILES C1C[C@]2([C@]([C@]([C@H]1O)(C)C=O)(CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4(CC(CC5)(C)C)[H])C([O-])=O)C)[H])C)[H])C
ChEBI Ontology
Outgoing gypsogenin(1−) (CHEBI:140467) is a monocarboxylic acid anion (CHEBI:35757)
gypsogenin(1−) (CHEBI:140467) is conjugate base of gypsogenin (CHEBI:5580)
Incoming gypsogenin (CHEBI:5580) is conjugate acid of gypsogenin(1−) (CHEBI:140467)
IUPAC Name
3β-hydroxy-23-oxoolean-12-en-28-oate
Synonyms Sources
(3β)-3-hydroxy-23-oxoolean-12-en-28-oate IUPAC
gypsogenin UniProt
Manual Xref Database
CPD-9470 MetaCyc
View more database links
Last Modified
12 April 2018