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CHEBI:60050 - estrone 3-sulfate(1−)
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ChEBI Name
estrone 3-sulfate(1−)
ChEBI ID
CHEBI:60050
ChEBI ASCII Name
estrone 3-sulfate(1-)
Definition
The conjugate base of estrone 3-sulfate; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H21O5S
Net Charge
-1
Average Mass
349.42100
Monoisotopic Mass
349.11152
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)
/p-
1/t14-
,15-
,16+,18+/m1/s1
InChIKey
JKKFKPJIXZFSSB-CBZIJGRNSA-M
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
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
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
estrone 3-sulfate(1−) (
CHEBI:60050
)
has role
human metabolite (
CHEBI:77746
)
estrone 3-sulfate(1−) (
CHEBI:60050
)
is a
estrane conjugate (
CHEBI:167107
)
estrone 3-sulfate(1−) (
CHEBI:60050
)
is a
steroid sulfate oxoanion (
CHEBI:59696
)
estrone 3-sulfate(1−) (
CHEBI:60050
)
is conjugate base of
estrone 3-sulfate (
CHEBI:17474
)
Incoming
estrone 3-sulfate (
CHEBI:17474
)
is conjugate acid of
estrone 3-sulfate(1−) (
CHEBI:60050
)
IUPAC Name
17-oxoestra-1,3,5(10)-trien-3-yl sulfate
Synonyms
Sources
estrone 3-sulfate
UniProt
estrone 3-sulfate anion
ChEBI
Last Modified
10 March 2014