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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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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 (Br
o
nsted 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 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
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
639-14-5
CAS Registry Number
KEGG COMPOUND
639-14-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23561300
PubMed citation
Europe PMC
9868165
PubMed citation
Europe PMC
Last Modified
28 July 2014