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ChEBI
> Main
CHEBI:71824 - pennogenin
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ChEBI Ontology
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ChEBI Name
pennogenin
ChEBI ID
CHEBI:71824
Definition
An oxaspiro compound that is spirost-5-en substituted by hydroxy groups at positions 3 and 17 (3β,25
R
stereoisomer).
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This entity has been manually annotated by the ChEBI Team.
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Formula
C27H42O4
Net Charge
0
Average Mass
430.62000
Monoisotopic Mass
430.30831
InChI
InChI=1S/C27H42O4/c1-
16-
7-
12-
26(30-
15-
16)
17(2)
27(29)
23(31-
26)
14-
22-
20-
6-
5-
18-
13-
19(28)
8-
10-
24(18,3)
21(20)
9-
11-
25(22,27)
4/h5,16-
17,19-
23,28-
29H,6-
15H2,1-
4H3/t16-
,17-
,19+,20-
,21+,22+,23+,24+,25+,26-
,27-
/m1/s1
InChIKey
SYYHBUHOUUETMI-WJOMMTHPSA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
[C@]
4([H]
)
CC=C5C[C@@H]
(O)
CC[C@]
5(C)
[C@@]
4([H]
)
CC[C@]
3(C)
[C@@]
1(O)
[C@H]
(C)
[C@@]
1(CC[C@@H]
(C)
CO1)
O2
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pennogenin (
CHEBI:71824
)
has parent hydride
spirostan (
CHEBI:26745
)
pennogenin (
CHEBI:71824
)
has role
metabolite (
CHEBI:25212
)
pennogenin (
CHEBI:71824
)
is a
17α-hydroxy steroid (
CHEBI:35342
)
pennogenin (
CHEBI:71824
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
pennogenin (
CHEBI:71824
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
pennogenin (
CHEBI:71824
)
is a
oxaspiro compound (
CHEBI:37948
)
pennogenin (
CHEBI:71824
)
is a
sapogenin (
CHEBI:26606
)
Incoming
floribundasaponin A (
CHEBI:65901
)
has functional parent
pennogenin (
CHEBI:71824
)
mannioside A (
CHEBI:66665
)
has functional parent
pennogenin (
CHEBI:71824
)
IUPAC Name
(3β,25
R
)-spirost-5-en-3,17-diol
Synonym
Source
(25
R
)-spirost-5-ene-3β,17-diol
ChEBI
Registry Number
Type
Source
53988
Reaxys Registry Number
Reaxys
Last Modified
25 April 2017