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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24-isopropenyl-22E-dehydrocholesterol
ChEBI ID CHEBI:193404
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O
Net Charge 0
Average Mass 424.713
Monoisotopic Mass 424.37052
InChI InChI=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
InChIKey BALNAVKTUKBYSD-KVNPXXKRSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/C(C(C)C)C(C)=C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
113385298 ChemSpider
LMST01050018 LIPID MAPS
View more database links