CHEBI:184287 - 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one

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ChEBI Name 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one
ChEBI ID CHEBI:184287
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O5
Net Charge 0
Average Mass 338.444
Monoisotopic Mass 338.20932
InChI InChI=1S/C19H30O5/c1-17-6-5-13-11(12(17)3-4-14(17)21)8-16(23)19(24)9-10(20)7-15(22)18(13,19)2/h10-13,15-16,20,22-24H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+,17-,18-,19-/m0/s1
InChIKey ONHQGXIEYFYVDF-MESRZZFMSA-N
SMILES O[C@]12[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(C[C@H]1O)[H])[H])([C@H](O)C[C@H](O)C2)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). 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 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one (CHEBI:184287) has role androgen (CHEBI:50113)
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one (CHEBI:184287) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(1R,3S,5R,6R,8R,9S,10S,13S,14S)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Manual Xrefs Databases
128906 ChemSpider
LMST02020108 LIPID MAPS
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Registry Number Type Source
90134-60-4 CAS Registry Number ChemIDplus