CHEBI:189950 - Epimetendiol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epimetendiol
ChEBI ID CHEBI:189950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O2
Net Charge 0
Average Mass 304.474
Monoisotopic Mass 304.24023
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13-17,21-22H,4-5,7-8,10-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20-/m1/s1
InChIKey UMCBDWHORFFLCD-ULWYFIRJSA-N
SMILES O[C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)C=C4)[H])C)(CC2)[H])[H])(CC1)[H])C)C
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
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ChEBI Ontology
Outgoing Epimetendiol (CHEBI:189950) has role androgen (CHEBI:50113)
Epimetendiol (CHEBI:189950) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(3S,5R,8R,9S,10R,13S,14S,17R)-10,13,17-trimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Manual Xref Database
52085472 ChemSpider
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Registry Number Type Source
132830-78-5 CAS Registry Number ChemIDplus