CHEBI:172997 - 23S,24R-Dimethylcholestan-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 23S,24R-Dimethylcholestan-3beta-ol
ChEBI ID CHEBI:172997
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H52O
Net Charge 0
Average Mass 416.734
Monoisotopic Mass 416.40182
InChI InChI=1S/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20?,21+,22?,23-,24?,25+,26?,27?,28-,29+/m0/s1
InChIKey KTGGCSVZUGUIFS-KNFGFYIMSA-N
SMILES O[C@@H]1CC2[C@@](C3C(C4[C@@]([C@H](CC4)C(C[C@@H]([C@@H](C(C)C)C)C)C)(CC3)C)CC2)(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 23S,24R-Dimethylcholestan-3beta-ol (CHEBI:172997) has parent hydride gorgostane (CHEBI:24424)
23S,24R-Dimethylcholestan-3beta-ol (CHEBI:172997) is a steroid (CHEBI:35341)
IUPAC Name
(3S,10S,13R,17R)-10,13-dimethyl-17-[(4S,5R)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
24823304 ChemSpider
LMST01030147 LIPID MAPS
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