CHEBI:5580 - gypsogenin

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ChEBI Name gypsogenin
ChEBI ID CHEBI:5580
Definition A sapogenin that is olean-12-en-28-oic acid substituted by a β-hydroxy group at position 3 and an oxo group at position 23.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H46O4
Net Charge 0
Average Mass 470.68384
Monoisotopic Mass 470.33961
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)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey QMHCWDVPABYZMC-MYPRUECHSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing gypsogenin (CHEBI:5580) has functional parent oleanolic acid (CHEBI:37659)
gypsogenin (CHEBI:5580) is a aldehyde (CHEBI:17478)
gypsogenin (CHEBI:5580) is a monocarboxylic acid (CHEBI:25384)
gypsogenin (CHEBI:5580) is a pentacyclic triterpenoid (CHEBI:25872)
gypsogenin (CHEBI:5580) is a sapogenin (CHEBI:26606)
gypsogenin (CHEBI:5580) is conjugate acid of gypsogenin(1−) (CHEBI:140467)
Incoming gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) has functional parent gypsogenin (CHEBI:5580)
gypsosaponin B (CHEBI:65993) has functional parent gypsogenin (CHEBI:5580)
salzmannianoside A (CHEBI:66157) has functional parent gypsogenin (CHEBI:5580)
gypsogenin(1−) (CHEBI:140467) is conjugate base of gypsogenin (CHEBI:5580)
IUPAC Name
3β-hydroxy-23-oxoolean-12-en-28-oic acid
Synonyms Sources
Albsapogenin ChemIDplus
Astrantiagenin D ChemIDplus
Githagenin ChemIDplus
Gypsogenin KEGG COMPOUND
Gypsophilasapogenin ChemIDplus
Gypsophilasaponin ChemIDplus
Saponin-gypsophila ChemIDplus
Manual Xrefs Databases
C00003525 KNApSAcK
C08950 KEGG COMPOUND
CPD-9470 MetaCyc
LMPR0106150010 LIPID MAPS
View more database links
Registry Numbers Types Sources
3228001 Reaxys Registry Number Reaxys
3228001 Beilstein Registry Number Beilstein
639-14-5 CAS Registry Number KEGG COMPOUND
639-14-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23561300 PubMed citation Europe PMC
9868165 PubMed citation Europe PMC
Last Modified
28 July 2014