CHEBI:173051 - 5-Androstene-3b,16a,17a-triol

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ChEBI Name 5-Androstene-3b,16a,17a-triol
ChEBI ID CHEBI:173051
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/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17+,18-,19-/m0/s1
InChIKey GUGSXATYPSGVAY-LFJLJVMTSA-N
SMILES O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(C[C@H]1O)[H])C
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 5-Androstene-3b,16a,17a-triol (CHEBI:173051) has role androgen (CHEBI:50113)
5-Androstene-3b,16a,17a-triol (CHEBI:173051) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(3S,8R,9S,10R,13S,14S,16R,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
Manual Xrefs Databases
13628104 ChemSpider
HMDB0000540 HMDB
LMST02020097 LIPID MAPS
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