CHEBI:174628 - 17-Hydroxymethylethisterone

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ChEBI Name 17-Hydroxymethylethisterone
ChEBI ID CHEBI:174628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O3
Net Charge 0
Average Mass 342.479
Monoisotopic Mass 342.21949
InChI InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,20-,21-,22?/m0/s1
InChIKey JGJFMZZHCOKXHX-RIONBYPISA-N
SMILES OC1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)[C@@H](C4)CO)C)(CC2)[H])[H])(CC1)[H])C)C#C
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 17-Hydroxymethylethisterone (CHEBI:174628) has role androgen (CHEBI:50113)
17-Hydroxymethylethisterone (CHEBI:174628) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(2S,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Manual Xrefs Databases
141166 ChemSpider
HMDB0060710 HMDB
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