CHEBI:212208 - (3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-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 (3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-OL
ChEBI ID CHEBI:212208
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O
Net Charge 0
Average Mass 412.702
Monoisotopic Mass 412.37052
InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22,24-26,30H,8,10-18H2,1-7H3/t20-,22-,24?,25+,26+,28-,29-/m1/s1
InChIKey GXGUDXDDESQQQQ-SNAQHUIWSA-N
SMILES O[C@@H]1C([C@H]2[C@](C3C(=C4[C@]([C@@H]([C@@H](CCC=C(C)C)C)CC4)(C)CC3)CC2)(C)CC1)(C)C
Metabolite of Species Details
Methylococcus capsulatus (NCBI:txid414) See: PubMed
ChEBI Ontology
Outgoing (3beta,4alpha,5alpha)-4,4-Dimethylcholesta-8(14),24-dien-3-OL (CHEBI:212208) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5R,10R,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol