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ChEBI
> Main
CHEBI:1188 - 2-methoxy-17β-estradiol 3-sulfate
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ChEBI Ontology
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ChEBI Name
2-methoxy-17β-estradiol 3-sulfate
ChEBI ID
CHEBI:1188
ChEBI ASCII Name
2-methoxy-17beta-estradiol 3-sulfate
Stars
This entity has been manually annotated by a third party.
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Formula
C19H26O6S
Net Charge
0
Average Mass
382.473
Monoisotopic Mass
382.14501
InChI
InChI=1S/C19H26O6S/c1-
19-
8-
7-
12-
13(15(19)
5-
6-
18(19)
20)
4-
3-
11-
9-
17(25-
26(21,22)
23)
16(24-
2)
10-
14(11)
12/h9-
10,12-
13,15,18,20H,3-
8H2,1-
2H3,(H,21,22,23)
/t12-
,13+,15-
,18-
,19-
/m0/s1
InChIKey
HKVMUVAMCRTTDB-SSTWWWIQSA-N
SMILES
COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1OS(O)(=O)=O
ChEBI Ontology
Outgoing
2-methoxy-17β-estradiol 3-sulfate (
CHEBI:1188
)
has functional parent
17β-estradiol (
CHEBI:16469
)
2-methoxy-17β-estradiol 3-sulfate (
CHEBI:1188
)
is a
steroid sulfate (
CHEBI:16158
)
Synonym
Source
2-Methoxyestradiol-17beta 3-sulfate
KEGG COMPOUND
Manual Xref
Database
C08359
KEGG COMPOUND
View more database links
Last Modified
28 July 2014