CHEBI:172998 - 4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol

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ChEBI Name 4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol
ChEBI ID CHEBI:172998
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H52O
Net Charge 0
Average Mass 428.745
Monoisotopic Mass 428.40182
InChI InChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-28,31H,9-16H2,1-8H3/b19-17+/t20?,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey LPFIPZJIWTZLEY-GLUJBYMDSA-N
SMILES O[C@@H]1[C@H]([C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@H](CC4)C(C)/C=C(/[C@@H](C(C)C)C)\C)(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H])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 4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol (CHEBI:172998) has parent hydride gorgostane (CHEBI:24424)
4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol (CHEBI:172998) is a steroid (CHEBI:35341)
IUPAC Name
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,5R)-4,5,6-trimethylhept-3-en-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
24850096 ChemSpider
LMST01031021 LIPID MAPS
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