CHEBI:212188 - (3beta,4alpha,5alpha)-4-Methylcholest-8-en-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-Methylcholest-8-en-3-OL
ChEBI ID CHEBI:212188
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H48O
Net Charge 0
Average Mass 400.691
Monoisotopic Mass 400.37052
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24?,26+,27-,28+/m1/s1
InChIKey SCEZIHJVTBQOLS-NOOOKHSVSA-N
SMILES O[C@@H]1[C@H]([C@H]2[C@](C3=C(C4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1)C
Metabolite of Species Details
Methylococcus capsulatus (NCBI:txid414) See: PubMed
ChEBI Ontology
Outgoing (3beta,4alpha,5alpha)-4-Methylcholest-8-en-3-OL (CHEBI:212188) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol