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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135355 - pregnenolone succinate
Main
ChEBI Ontology
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ChEBI Name
pregnenolone succinate
ChEBI ID
CHEBI:135355
Stars
This entity has been manually annotated by a third party.
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Formula
C25H36O5
Net Charge
0
Average Mass
416.551
Monoisotopic Mass
416.25627
InChI
InChI=1S/C25H36O5/c1-
15(26)
19-
6-
7-
20-
18-
5-
4-
16-
14-
17(30-
23(29)
9-
8-
22(27)
28)
10-
12-
24(16,2)
21(18)
11-
13-
25(19,20)
3/h4,17-
21H,5-
14H2,1-
3H3,(H,27,28)
/t17-
,18-
,19+,20-
,21-
,24-
,25+/m0/s1
InChIKey
OZZAYJQNMKMUSD-DMISRAGPSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)C(C)=O)[H])(CC=C1C[C@H](CC2)OC(CCC(O)=O)=O)[H])[H]
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
pregnenolone succinate (
CHEBI:135355
)
is a
hemisuccinate (
CHEBI:138979
)
pregnenolone succinate (
CHEBI:135355
)
is a
steroid ester (
CHEBI:47880
)
Manual Xref
Database
2256
DrugCentral
View more database links
Registry Number
Type
Source
4598-67-8
CAS Registry Number
DrugCentral
Last Modified
09 November 2017