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CHEBI:193304 - 4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol

Default Structure
ChEBI IDCHEBI:193304
ChEBI Name4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]12CCC([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22?,23+,25+,26+,28-,29-/m1/s1
InChIKeyCHGIKSSZNBCNDW-GKBRUXRCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol (CHEBI:193304) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,10S,13R,14R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
25994967ChemSpider
44-DIMETHYL-824-CHOLESTADIENOLMetaCyc
C05108KEGG COMPOUND
HMDB0001286HMDB