CHEBI:199339 - 5a-Cholestan-3beta-ol

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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 5a-Cholestan-3beta-ol
ChEBI ID CHEBI:199339
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O
Net Charge 0
Average Mass 388.680
Monoisotopic Mass 388.37052
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-/m1/s1
InChIKey QYIXCDOBOSTCEI-LFBIJMMSSA-N
SMILES O[C@@H]1C[C@H]2[C@](C3C(C4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) See: DOI
ChEBI Ontology
Outgoing 5a-Cholestan-3beta-ol (CHEBI:199339) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-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
Manual Xref Database
23252450 ChemSpider
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