CHEBI:173049 - 3beta,11beta-dihydroxy-androstan-17-one

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ChEBI Name 3beta,11beta-dihydroxy-androstan-17-one
ChEBI ID CHEBI:173049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O3
Net Charge 0
Average Mass 306.446
Monoisotopic Mass 306.21949
InChI InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17+,18-,19-/m0/s1
InChIKey PIXFHVWJOVNKQK-CZQRWWPKSA-N
SMILES O[C@@H]1[C@@]2([C@@]3([C@@](CC[C@]2([C@]4([C@](C1)(C(=O)CC4)C)[H])[H])(C[C@@H](O)CC3)[H])C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] 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 3beta,11beta-dihydroxy-androstan-17-one (CHEBI:173049) has role androgen (CHEBI:50113)
3beta,11beta-dihydroxy-androstan-17-one (CHEBI:173049) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(3S,5S,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Manual Xrefs Databases
17221020 ChemSpider
LMST02020004 LIPID MAPS
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Registry Number Type Source
514-17-0 CAS Registry Number ChemIDplus