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.
Supplier Information
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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 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