CHEBI:17474 - estrone 3-sulfate

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ChEBI Name estrone 3-sulfate
ChEBI ID CHEBI:17474
Definition A steroid sulfate that is the 3-sulfate of estrone.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4871, CHEBI:14221, CHEBI:23972
Supplier Information
Download Molfile XML SDF
Formula C18H22O5S
Net Charge 0
Average Mass 350.42900
Monoisotopic Mass 350.119
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)/t14-,15-,16+,18+/m1/s1
InChIKey JKKFKPJIXZFSSB-CBZIJGRNSA-N
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
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:10090) See: PubMed
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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 (CHEBI:17474) has functional parent estrone (CHEBI:17263)
estrone 3-sulfate (CHEBI:17474) has parent hydride estrane (CHEBI:23966)
estrone 3-sulfate (CHEBI:17474) has role human metabolite (CHEBI:77746)
estrone 3-sulfate (CHEBI:17474) has role mouse metabolite (CHEBI:75771)
estrone 3-sulfate (CHEBI:17474) is a 17-oxo steroid (CHEBI:19168)
estrone 3-sulfate (CHEBI:17474) is a steroid sulfate (CHEBI:16158)
estrone 3-sulfate (CHEBI:17474) is conjugate acid of estrone 3-sulfate(1−) (CHEBI:60050)
Incoming estrone 3-sulfate(1−) (CHEBI:60050) is conjugate base of estrone 3-sulfate (CHEBI:17474)
IUPAC Name
17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate
Synonyms Sources
3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate ChemIDplus
Estrone 3-sulfate KEGG COMPOUND
estrone hydrogen sulfate ChemIDplus
estrone sulfate ChemIDplus
estrone sulphate ChemIDplus
Database Links Databases
4857 DrugCentral
C02538 KEGG COMPOUND
HMDB0001425 HMDB
LSM-3126 LINCS
View more database links
Registry Numbers Types Sources
2399598 Reaxys Registry Number Reaxys
2399598 Beilstein Registry Number Beilstein
481-97-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15356081 PubMed citation Europe PMC
23717534 PubMed citation Europe PMC
Last Modified
22 February 2017