EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:166791 - Cholesta-3,5-diene
| Formula | C27H44 |
| Net Charge | 0 |
| Average Mass | 368.649 |
| Monoisotopic Mass | 368.34430 |
| SMILES | [H][C@@]12CC=C3C=CCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C |
| InChI | InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | RLHIRZFWJBOHHD-HKQCOZBKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cholesta-3,5-diene (CHEBI:166791) is a cholestanoid (CHEBI:50401) |
| IUPAC Name |
|---|
| (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene |