Terminology Service for NFDI4Health
17alpha-ethynylestradiol 3-sulfate(1-)
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http://purl.obolibrary.org/obo/CHEBI_133978
A steroid sulfate oxoanion that is the conjugate base of 17alpha-ethynylestradiol 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3.
Term info
Label
17alpha-ethynylestradiol 3-sulfate(1-)
Synonyms
- (17alpha)-17-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl sulfate
Subsets
3_STAR
charge
-1
formula
C20H23O5S
has obo namespace
chebi_ontology
has related synonym
17alpha-ethynylestradiol sulfate(1-), 17alpha-ethynylestradiol 3-sulfate
id
CHEBI:133978
inchi
InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/p-1/t16-,17-,18+,19+,20+/m1/s1
inchikey
WLGIWVFFGMPRLM-SLHNCBLASA-M
mass
375.460
monoisotopicmass
375.12717
smiles
C1=C(OS([O-])(=O)=O)C=CC2=C1CC[C@]3([C@@]4(CC[C@]([C@]4(CC[C@@]32[H])C)(C#C)O)[H])[H]
Term relations
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