CHEBI:168395 - 3a,16b-Dihydroxyandrostenone

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ChEBI Name 3a,16b-Dihydroxyandrostenone
ChEBI ID CHEBI:168395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H28O3
Net Charge 0
Average Mass 304.430
Monoisotopic Mass 304.20384
InChI InChI=1S/C19H28O3/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/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey QQIVKFZWLZJXJT-BNSUEQOYSA-N
SMILES O[C@H]1C[C@]2([C@]3([C@@]([C@@]4(C(=CC3)C[C@H](O)CC4)C)(CC[C@@]2(C1=O)C)[H])[H])[H]
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 3a,16b-Dihydroxyandrostenone (CHEBI:168395) has role androgen (CHEBI:50113)
3a,16b-Dihydroxyandrostenone (CHEBI:168395) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(3R,8R,9S,10R,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Manual Xrefs Databases
24850099 ChemSpider
LMST02020091 LIPID MAPS
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