CHEBI:173053 - 9,17beta-hydroxy-androsta-1,4-dien-3-one

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ChEBI Name 9,17beta-hydroxy-androsta-1,4-dien-3-one
ChEBI ID CHEBI:173053
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O3
Net Charge 0
Average Mass 302.414
Monoisotopic Mass 302.18819
InChI InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-16,21-22H,3-6,9-10H2,1-2H3/t14-,15-,16-,17-,18-,19+/m0/s1
InChIKey BDTCDYJFOLOAGO-KOUJMVCDSA-N
SMILES O[C@@]12[C@]([C@]3([C@](CC1)([C@@H](O)CC3)C)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[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 9,17beta-hydroxy-androsta-1,4-dien-3-one (CHEBI:173053) has role androgen (CHEBI:50113)
9,17beta-hydroxy-androsta-1,4-dien-3-one (CHEBI:173053) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(8S,9R,10S,13S,14S,17S)-9,17-dihydroxy-10,13-dimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Manual Xref Database
LMST02020114 LIPID MAPS
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