CHEBI:17474 - estrone 3-sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name estrone 3-sulfate
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 350.11879
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
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:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:txid10090) See: PubMed
Homo sapiens (NCBI:txid9606) 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)
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
Manual Xrefs Databases
4857 DrugCentral
HMDB0001425 HMDB
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