CHEBI:143743 - (3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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ChEBI Name (3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
ChEBI ID CHEBI:143743
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H48O
Net Charge 0
Average Mass 388.670
Monoisotopic Mass 388.371
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19?,20-,21-,22?,23?,24?,25?,26?,27?/m0/s1
InChIKey QYIXCDOBOSTCEI-JKUMBUQESA-N
SMILES O[C@@H]1C[C@H]2C(C3C(C4C(C(C(CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1
Metabolite of Species Details
Bathymodiolus (NCBI:txid12965) Found in gill filament {BTO:0002150 See: MetaboLights Study
ChEBI Ontology
Outgoing (3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CHEBI:143743) is a cholestanoid (CHEBI:50401)