CHEBI:87598 - 7α-hydroxyestradiol

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ChEBI Name 7α-hydroxyestradiol
ChEBI ID CHEBI:87598
ChEBI ASCII Name 7alpha-hydroxyestradiol
Definition A 7α-hydroxy steroid that is 17β-estradiol substituted by an α-hydroxy group at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C18H24O3
Net Charge 0
Average Mass 288.382
Monoisotopic Mass 288.17254
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-17,19-21H,4-7,9H2,1H3/t13-,14+,15-,16+,17-,18+/m1/s1
InChIKey CQPNIWHVQNCXHA-HTPGKPQGSA-N
SMILES C1=C2C(C[C@H]([C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])O)=CC(=C1)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α-hydroxyestradiol (CHEBI:87598) has functional parent 17β-estradiol (CHEBI:16469)
7α-hydroxyestradiol (CHEBI:87598) has parent hydride estrane (CHEBI:23966)
7α-hydroxyestradiol (CHEBI:87598) has role human xenobiotic metabolite (CHEBI:76967)
7α-hydroxyestradiol (CHEBI:87598) is a 17β-hydroxy steroid (CHEBI:35343)
7α-hydroxyestradiol (CHEBI:87598) is a 3-hydroxy steroid (CHEBI:36834)
7α-hydroxyestradiol (CHEBI:87598) is a 7α-hydroxy steroid (CHEBI:36843)
7α-hydroxyestradiol (CHEBI:87598) is a phenolic steroid (CHEBI:177917)
7α-hydroxyestradiol (CHEBI:87598) is a phenols (CHEBI:33853)
IUPAC Name
estra-1(10),2,4-triene-3,7α,17β-triol
Synonyms Sources
(7α,17β)-estra-1(10),2,4-triene-3,7,17-triol IUPAC
(7α,17β)-estra-1,3,5(10)-trien-3,7,17-triol SUBMITTER
7α-hydroxy-17β-estradiol UniProt
7α-hydroxy-β-estradiol ChEBI
7α-hydroxyestradiol-17β SUBMITTER
Estra-1,3,5(10)-triene-3,7,17-triol ChemIDplus
estra-1,3,5(10)-triene-3,7α,17β-triol SUBMITTER
NSC 89844 ChemIDplus
Registry Numbers Types Sources
2622731 Reaxys Registry Number Reaxys
3398-11-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12011817 PubMed citation Europe PMC
12865317 PubMed citation SUBMITTER
Last Modified
03 September 2015