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> Main
CHEBI:35420 - pregnenolone sulfate
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ChEBI Ontology
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ChEBI Name
pregnenolone sulfate
ChEBI ID
CHEBI:35420
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H32O5S
Net Charge
0
Average Mass
396.543
Monoisotopic Mass
396.19705
InChI
InChI=1S/C21H32O5S/c1-
13(22)
17-
6-
7-
18-
16-
5-
4-
14-
12-
15(26-
27(23,24)
25)
8-
10-
20(14,2)
19(16)
9-
11-
21(17,18)
3/h4,15-
19H,5-
12H2,1-
3H3,(H,23,24,25)
/t15-
,16-
,17+,18-
,19-
,20-
,21+/m0/s1
InChIKey
DIJBBUIOWGGQOP-QGVNFLHTSA-N
SMILES
C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS(O)(=O)=O)[H])[H])[H])C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
EC 2.7.1.33 (pantothenate kinase) inhibitor
An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pregnenolone sulfate (
CHEBI:35420
)
has functional parent
pregnenolone (
CHEBI:16581
)
pregnenolone sulfate (
CHEBI:35420
)
has role
EC 2.7.1.33 (pantothenate kinase) inhibitor (
CHEBI:77194
)
pregnenolone sulfate (
CHEBI:35420
)
has role
human metabolite (
CHEBI:77746
)
pregnenolone sulfate (
CHEBI:35420
)
is a
steroid sulfate (
CHEBI:16158
)
pregnenolone sulfate (
CHEBI:35420
)
is conjugate acid of
pregnenolone sulfate(1−) (
CHEBI:133000
)
Incoming
pregnenolone sulfate(1−) (
CHEBI:133000
)
is conjugate base of
pregnenolone sulfate (
CHEBI:35420
)
IUPAC Name
20-oxopregn-5-en-3β-yl hydrogen sulfate
Synonyms
Sources
(3β)-3-(sulfooxy)pregn-5-en-20-one
ChemIDplus
5-pregnen-3β-ol-20-one sulfate
ChemIDplus
Pregnenolone sulfate
KEGG COMPOUND
pregnenolone sulfate
ChemIDplus
Manual Xref
Database
C18044
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1247-64-9
CAS Registry Number
ChemIDplus
2632294
Beilstein Registry Number
Beilstein
Citation
Type
Source
20797618
PubMed citation
Europe PMC
Last Modified
12 August 2016