EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173045 - 9beta,19-cyclolanost-24-en-3beta-ol

Default Structure
ChEBI IDCHEBI:173045
ChEBI Name9beta,19-cyclolanost-24-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@@]34C[C@@]14CC[C@]1(C)[C@@H](C(C)CCC=C(C)C)CC[C@@]21C
InChIInChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21?,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKeyONQRKEUAIJMULO-SPBTXPORSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
9beta,19-cyclolanost-24-en-3beta-ol (CHEBI:173045) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Manual XrefsDatabases
338989ChemSpider
LMST01100008LIPID MAPS