EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178557 - 22R,23S-epoxy-5alpha-campest-9(11)-en-3beta,6alpha,20S-triol

ChEBI IDCHEBI:178557
ChEBI Name22R,23S-epoxy-5alpha-campest-9(11)-en-3beta,6alpha,20S-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@]1([C@@](C)(O)[C@@H]2O[C@H]2[C@@H](C)C(C)C)CC[C@]2([H])[C@]1(C)CC=C1[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=1S/C28H46O4/c1-15(2)16(3)24-25(32-24)28(6,31)23-8-7-19-18-14-22(30)21-13-17(29)9-11-26(21,4)20(18)10-12-27(19,23)5/h10,15-19,21-25,29-31H,7-9,11-14H2,1-6H3/t16-,17-,18-,19-,21+,22-,23-,24-,25+,26+,27-,28+/m0/s1
InChIKeyLJBWFFAXMMVBPM-GFMLFUBMSA-N
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)
22R,23S-epoxy-5alpha-campest-9(11)-en-3beta,6alpha,20S-triol (CHEBI:178557) has role androgen (CHEBI:50113)
22R,23S-epoxy-5alpha-campest-9(11)-en-3beta,6alpha,20S-triol (CHEBI:178557) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3S,5S,6S,8S,10S,13S,14S,17S)-17-[(1R)-1-hydroxy-1-[(2R,3S)-3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Manual XrefsDatabases
29216055ChemSpider
LMST01031077LIPID MAPS