CHEBI:190894 - 6b-Hydroxymethandienone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6b-Hydroxymethandienone
ChEBI ID CHEBI:190894
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-18-7-4-12(21)10-16(18)17(22)11-13-14(18)5-8-19(2)15(13)6-9-20(19,3)23/h4,7,10,13-15,17,22-23H,5-6,8-9,11H2,1-3H3/t13-,14+,15+,17-,18-,19+,20+/m1/s1
InChIKey OBCJFTMGLMNCTJ-INIPNLRTSA-N
SMILES O[C@@]1([C@@]2([C@]([C@]3([C@](CC2)([C@@]4(C([C@H](O)C3)=CC(=O)C=C4)C)[H])[H])(CC1)[H])C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6b-Hydroxymethandienone (CHEBI:190894) has role androgen (CHEBI:50113)
6b-Hydroxymethandienone (CHEBI:190894) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Manual Xrefs Databases
10363911 ChemSpider
HMDB0005832 HMDB
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Registry Number Type Source
33526-41-9 CAS Registry Number ChemIDplus