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CHEBI:137049 - 16α,17α-dihydroxypregnenolone
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ChEBI Ontology
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ChEBI Name
16α,17α-dihydroxypregnenolone
ChEBI ID
CHEBI:137049
ChEBI ASCII Name
16alpha,17alpha-dihydroxypregnenolone
Definition
A pregnane sterol that is pregnenolone substituted by two hydroxy groups at positions 16 and 17 (16α,17α-stereoisomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Formula
C21H32O4
Net Charge
0
Average Mass
348.477
Monoisotopic Mass
348.23006
InChI
InChI=1S/C21H32O4/c1-
12(22)
21(25)
18(24)
11-
17-
15-
5-
4-
13-
10-
14(23)
6-
8-
19(13,2)
16(15)
7-
9-
20(17,21)
3/h4,14-
18,23-
25H,5-
11H2,1-
3H3/t14-
,15+,16-
,17-
,18+,19-
,20-
,21+/m0/s1
InChIKey
JUTWIBFBXPFWGP-XXHSLLPRSA-N
SMILES
C1[C@@]2([C@]3(CC[C@]4(C)[C@]([C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O)[H])[H])O)(C(=O)C)O)[H])C
ChEBI Ontology
Outgoing
16α,17α-dihydroxypregnenolone (
CHEBI:137049
)
is a
16α-hydroxy steroid (
CHEBI:16799
)
16α,17α-dihydroxypregnenolone (
CHEBI:137049
)
is a
17α-hydroxy steroid (
CHEBI:35342
)
16α,17α-dihydroxypregnenolone (
CHEBI:137049
)
is a
hydroxypregnenolone (
CHEBI:36730
)
16α,17α-dihydroxypregnenolone (
CHEBI:137049
)
is a
pregnane sterol (
CHEBI:131698
)
16α,17α-dihydroxypregnenolone (
CHEBI:137049
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
IUPAC Name
3β,16α-trihydroxypregn-5-en-20-one
Synonyms
Sources
(β,16α)-3,16,17-trihydroxypregn-5-en-20-one
IUPAC
16α,17-dihydroxypregnenolone
ChEBI
16α,17α-dihydroxypregnenolone
UniProt
3β,16α,17α-trihydroxypregn-5-en-20-one
SUBMITTER
Registry Number
Type
Source
3218556
Reaxys Registry Number
Reaxys
Citation
Type
Source
27339894
PubMed citation
SUBMITTER
Last Modified
06 February 2018