EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216483 - 1alpha-hydroxy S19159

ChEBI IDCHEBI:216483
ChEBI Name1alpha-hydroxy S19159
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35[C@H](O)C[C@]12C)C(C)C
InChIInChI=1S/C30H46O5/c1-16(2)17(3)7-8-18(4)19-9-10-20-21-11-12-22-28(6,26(34)35)23(31)13-24(32)30(22)15-29(21,30)25(33)14-27(19,20)5/h11,16,18-20,22-25,31-33H,3,7-10,12-15H2,1-2,4-6H3,(H,34,35)/t18-,19-,20+,22+,23+,24+,25-,27-,28+,29+,30-/m1/s1
InChIKeyIGQSMXUZTBGBDD-WETZCJHQSA-N
Species of MetaboliteComponentSourceComments
Mycoleptodiscus (ncbitaxon:60494) - DOI (10.1016/j.tetlet.2019.151508)
ChEBI Ontology
Outgoing Relation(s)
1alpha-hydroxy S19159 (CHEBI:216483) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1R,3S,4S,6S,7S,8R,12R,15R,16R,18R)-4,6,18-trihydroxy-7,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-ene-7-carboxylic acid