Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:771 - 16α-hydroxypregnenolone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
16α-hydroxypregnenolone
ChEBI ID
CHEBI:771
ChEBI ASCII Name
16alpha-hydroxypregnenolone
Definition
A hydroxypregnenolone that is pregnenolone substituted by a α-hydroxy group at position 16.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C21H32O3
Net Charge
0
Average Mass
332.47698
Monoisotopic Mass
332.23514
InChI
InChI=1S/C21H32O3/c1-
12(22)
19-
18(24)
11-
17-
15-
5-
4-
13-
10-
14(23)
6-
8-
20(13,2)
16(15)
7-
9-
21(17,19)
3/h4,14-
19,23-
24H,5-
11H2,1-
3H3/t14-
,15+,16-
,17-
,18+,19-
,20-
,21-
/m0/s1
InChIKey
ZAKJZPQDUPCXSD-YRWKUUEZSA-N
SMILES
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@H](O)C[C@@]21[H])C(C)=O
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
16α-hydroxypregnenolone (
CHEBI:771
)
has role
human metabolite (
CHEBI:77746
)
16α-hydroxypregnenolone (
CHEBI:771
)
is a
16α-hydroxy steroid (
CHEBI:16799
)
16α-hydroxypregnenolone (
CHEBI:771
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
16α-hydroxypregnenolone (
CHEBI:771
)
is a
hydroxypregnenolone (
CHEBI:36730
)
IUPAC Name
3β,16α-dihydroxypregn-5-en-20-one
Synonyms
Sources
(3β,16α)-3,16-dihydroxypregn-5-en-20-one
ChemIDplus
16-alpha-Hydroxypregnenolone
KEGG COMPOUND
16alpha-Hydroxypregnenolone
KEGG COMPOUND
Manual Xrefs
Databases
C06390
KEGG COMPOUND
HMDB0000315
HMDB
View more database links
Registry Numbers
Types
Sources
3215687
Beilstein Registry Number
Beilstein
3215687
Reaxys Registry Number
Reaxys
520-88-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
159171
PubMed citation
Europe PMC
5353659
PubMed citation
Europe PMC
668632
PubMed citation
Europe PMC
Last Modified
25 April 2017