CHEBI:143742 - (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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ChEBI Name (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
ChEBI ID CHEBI:143742
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H46O
Net Charge 0
Average Mass 386.655
Monoisotopic Mass 386.355
InChI InChI=1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19?,21-,22?,23?,24?,25?,26?,27?/m0/s1
InChIKey HVYWMOMLDIMFJA-LBHVWCRMSA-N
SMILES O[C@@H]1CC2=CCC3C4C(C(C(CCCC(C)C)C)CC4)(C)CCC3C2(C)CC1
Metabolite of Species Details
Bathymodiolus (NCBI:txid12965) Found in gill filament {BTO:0002150 See: MetaboLights Study
ChEBI Ontology
Outgoing (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CHEBI:143742) is a cholestanoid (CHEBI:50401)