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(Q74417655)
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English
17beta-estradiol 3-sulfate(1-)
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
sulfur oxoanion
0 references
organic anion
1 reference
stated in
ChEBI release 2019-11-01
mass
351.1271684159099
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₃O₅S⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3c4ccc(OS(=O)(=O)[O-])cc4CCC3C1CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C18H24O5S/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/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,17+,18+/m1/s1
0 references
InChIKey
QZIGLSSUDXBTLJ-ZBRFXRBCSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
71434364
1 reference
matched by identifier from
InChIKey
InChIKey
QZIGLSSUDXBTLJ-ZBRFXRBCSA-M
Reaxys registry number
3705507
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
136582
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H24O5S/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/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,17+,18+/m1/s1
UniChem compound ID
8279737
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597765
1 reference
matched by identifier from
InChIKey
InChIKey
QZIGLSSUDXBTLJ-ZBRFXRBCSA-M
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