gypsogenin (CHEBI:5580)

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CHEBI:5580 - gypsogenin

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ChEBI ID	CHEBI:5580
ChEBI Name	gypsogenin
Stars
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.
Last Modified	28 July 2014
Downloads	Molfile

Formula	C30H46O4
Net Charge	0
Average Mass	470.694
Monoisotopic Mass	470.33961
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
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

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	gypsogenin 28-β-D-glucoside (CHEBI:167133) has functional parent gypsogenin (CHEBI:5580)
	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	Source
Gypsogenin	KEGG COMPOUND
Albsapogenin	ChemIDplus
Astrantiagenin D	ChemIDplus
Githagenin	ChemIDplus
Gypsophilasapogenin	ChemIDplus
Gypsophilasaponin	ChemIDplus

Manual Xrefs	Databases
C08950	KEGG COMPOUND
CPD-9470	MetaCyc
LMPR0106150010	LIPID MAPS
C00003525	KNApSAcK

Registry Numbers	Sources
Reaxys:3228001	Reaxys
CAS:639-14-5	KEGG COMPOUND
CAS:639-14-5	ChemIDplus

Citations