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CHEBI:193404 - 24-isopropenyl-22E-dehydrocholesterol

ChEBI IDCHEBI:193404
ChEBI Name24-isopropenyl-22E-dehydrocholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)/C=C/C(C(=C)C)C(C)C
InChIInChI=1S/C30H48O/c1-19(2)24(20(3)4)10-8-21(5)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,6)28(25)15-17-30(26,27)7/h8-10,20-21,23-28,31H,1,11-18H2,2-7H3/b10-8+/t21-,23+,24?,25+,26-,27+,28+,29+,30-/m1/s1
InChIKeyBALNAVKTUKBYSD-KVNPXXKRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
24-isopropenyl-22E-dehydrocholesterol (CHEBI:193404) has parent hydride stigmastane (CHEBI:26773)
24-isopropenyl-22E-dehydrocholesterol (CHEBI:193404) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,3E)-6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01050018LIPID MAPS
113385298ChemSpider