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ChEBI
> Main
CHEBI:27486 - 16,17-didehydropregnenolone
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ChEBI Name
16,17-didehydropregnenolone
ChEBI ID
CHEBI:27486
Definition
A 3β-hydroxy-Δ
5
-steroid that is pregnenolone with a double bond between positions 16 and 17.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:762, CHEBI:19156
Supplier Information
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Formula
C21H30O2
Net Charge
0
Average Mass
314.46170
Monoisotopic Mass
314.22458
InChI
InChI=1S/C21H30O2/c1-
13(22)
17-
6-
7-
18-
16-
5-
4-
14-
12-
15(23)
8-
10-
20(14,2)
19(16)
9-
11-
21(17,18)
3/h4,6,15-
16,18-
19,23H,5,7-
12H2,1-
3H3/t15-
,16-
,18-
,19-
,20-
,21+/m0/s1
InChIKey
YLFRRPUBVUAHSR-RRPFGEQOSA-N
SMILES
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])C(C)=O
ChEBI Ontology
Outgoing
16,17-didehydropregnenolone (
CHEBI:27486
)
has functional parent
pregnenolone (
CHEBI:16581
)
16,17-didehydropregnenolone (
CHEBI:27486
)
is a
20-oxo steroid (
CHEBI:36885
)
16,17-didehydropregnenolone (
CHEBI:27486
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
16,17-didehydropregnenolone (
CHEBI:27486
)
is a
enone (
CHEBI:51689
)
Incoming
16,17-didehydropregnenolone 3-β-
D
-glucoside (
CHEBI:145050
)
has functional parent
16,17-didehydropregnenolone (
CHEBI:27486
)
IUPAC Name
3β-hydroxypregna-5,16-dien-20-one
Synonyms
Sources
(3β)-3-hydroxypregna-5,16-dien-20-one
NIST Chemistry WebBook
16,17-Didehydropregnenolone
KEGG COMPOUND
16,17-didehydropregnenolone
UniProt
16-dehydropregnenolone
ChemIDplus
5,16-pregnadien-3β-ol-20-one
NIST Chemistry WebBook
Δ
16
-pregnenolone
NIST Chemistry WebBook
Manual Xref
Database
C06392
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1009330
Beilstein Registry Number
Beilstein
1009330
Reaxys Registry Number
Reaxys
1162-53-4
CAS Registry Number
ChemIDplus
1162-53-4
CAS Registry Number
NIST Chemistry WebBook
Last Modified
17 January 2023