EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185752 - 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol

ChEBI IDCHEBI:185752
ChEBI Name27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O9
Net Charge0
Average Mass516.672
Monoisotopic Mass516.32983
SMILES[H][C@]12CC[C@@]3(C)[C@@](O)([C@@H](O)C[C@]3([H])[C@H](C)CC[C@](C)(O)CC)[C@]1(O)[C@@H](O)[C@H](O)[C@@]1(O)[C@@H](O)[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H48O9/c1-6-22(3,33)10-7-14(2)15-13-18(29)27(36)23(15,4)12-9-17-24(5)11-8-16(28)19(30)26(24,35)21(32)20(31)25(17,27)34/h14-21,28-36H,6-13H2,1-5H3/t14-,15-,16+,17-,18+,19+,20+,21+,22-,23-,24-,25-,26+,27+/m1/s1
InChIKeyGWRUYSBVTMSIKL-OIOANXOXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol (CHEBI:185752) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,4S,5S,6S,7S,8R,9R,10R,13R,14R,15S,17R)-17-[(2R,5R)-5-hydroxy-5-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,4,5,6,7,8,14,15-octol
Manual XrefsDatabases
113385202ChemSpider
LMST01031078LIPID MAPS