CHEBI:186637 - 4-Methyl-cholest-5-en-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 4-Methyl-cholest-5-en-3beta-ol
ChEBI ID CHEBI:186637
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/h11,18-22,24-26,29H,7-10,12-17H2,1-6H3/t19?,20?,21?,22-,24?,25?,26+,27-,28+/m1/s1
InChIKey PZELUKPNJYWGOY-DZFGPXBKSA-N
SMILES O[C@@H]1C(C=2[C@@](C3C(C4[C@@]([C@H](CC4)C(CCCC(C)C)C)(CC3)C)CC2)(CC1)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Methyl-cholest-5-en-3beta-ol (CHEBI:186637) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,10R,13R,17R)-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
24823273 ChemSpider
LMST01010137 LIPID MAPS
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