EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183432 - 17alpha-Methyl-androstan-3-hydroxyimine-17beta-ol

ChEBI IDCHEBI:183432
ChEBI Name17alpha-Methyl-androstan-3-hydroxyimine-17beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H33NO2
Net Charge0
Average Mass319.489
Monoisotopic Mass319.25113
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)CC/C(=N\O)C2
InChIInChI=1S/C20H33NO2/c1-18-9-6-14(21-23)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22-23H,4-12H2,1-3H3/b21-14+/t13-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKeyOZDYENBGCZIXOP-ZYWZIWGGSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
17alpha-Methyl-androstan-3-hydroxyimine-17beta-ol (CHEBI:183432) is a androstanoid (CHEBI:50402)
IUPAC Name 
(3E,5S,8R,9S,10S,13S,14S,17S)-3-hydroxyimino-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Manual XrefsDatabases
35519202ChemSpider