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CHEBI:200804 - (3R,4S,5S,17R,20R)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one

ChEBI IDCHEBI:200804
ChEBI Name(3R,4S,5S,17R,20R)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESC[C@@H]1[C@H](O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@@H]1CC[C@](O)([C@@H](C)O)[C@@]1(C)CC3
InChIInChI=1S/C22H34O4/c1-12-16-11-18(25)19-14(20(16,3)8-7-17(12)24)5-9-21(4)15(19)6-10-22(21,26)13(2)23/h12-13,15-17,23-24,26H,5-11H2,1-4H3/t12-,13+,15-,16-,17+,20+,21-,22-/m0/s1
InChIKeyMHAYDOHKEQXCEG-GLVQIBCTSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (20583752)
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,5S,17R,20R)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one (CHEBI:200804) has role androgen (CHEBI:50113)
(3R,4S,5S,17R,20R)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one (CHEBI:200804) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3R,4S,5S,10S,13S,14R,17R)-3,17-dihydroxy-17-[(1R)-1-hydroxyethyl]-4,10,13-trimethyl-2,3,4,5,6,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
28287922ChemSpider