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ChEBI
> Main
CHEBI:17474 - estrone 3-sulfate
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ChEBI Ontology
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ChEBI Name
estrone 3-sulfate
ChEBI ID
CHEBI:17474
Definition
A steroid sulfate that is the 3-sulfate of estrone.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4871, CHEBI:14221, CHEBI:23972
Supplier Information
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Formula
C18H22O5S
Net Charge
0
Average Mass
350.42900
Monoisotopic Mass
350.11879
InChI
InChI=1S/C18H22O5S/c1-
18-
9-
8-
14-
13-
5-
3-
12(23-
24(20,21)
22)
10-
11(13)
2-
4-
15(14)
16(18)
6-
7-
17(18)
19/h3,5,10,14-
16H,2,4,6-
9H2,1H3,(H,20,21,22)
/t14-
,15-
,16+,18+/m1/s1
InChIKey
JKKFKPJIXZFSSB-CBZIJGRNSA-N
SMILES
[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS(O)(=O)=O)ccc21
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Mus musculus
(NCBI:txid10090)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
estrone 3-sulfate (
CHEBI:17474
)
has functional parent
estrone (
CHEBI:17263
)
estrone 3-sulfate (
CHEBI:17474
)
has parent hydride
estrane (
CHEBI:23966
)
estrone 3-sulfate (
CHEBI:17474
)
has role
human metabolite (
CHEBI:77746
)
estrone 3-sulfate (
CHEBI:17474
)
has role
mouse metabolite (
CHEBI:75771
)
estrone 3-sulfate (
CHEBI:17474
)
is a
17-oxo steroid (
CHEBI:19168
)
estrone 3-sulfate (
CHEBI:17474
)
is a
steroid sulfate (
CHEBI:16158
)
estrone 3-sulfate (
CHEBI:17474
)
is conjugate acid of
estrone 3-sulfate(1−) (
CHEBI:60050
)
Incoming
estrone 3-sulfate(1−) (
CHEBI:60050
)
is conjugate base of
estrone 3-sulfate (
CHEBI:17474
)
IUPAC Name
17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate
Synonyms
Sources
3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate
ChemIDplus
Estrone 3-sulfate
KEGG COMPOUND
estrone hydrogen sulfate
ChemIDplus
estrone sulfate
ChemIDplus
estrone sulphate
ChemIDplus
Manual Xrefs
Databases
4857
DrugCentral
C02538
KEGG COMPOUND
HMDB0001425
HMDB
LSM-3126
LINCS
View more database links
Registry Numbers
Types
Sources
2399598
Reaxys Registry Number
Reaxys
481-97-0
CAS Registry Number
ChemIDplus
Citations
Last Modified
22 February 2017