CHEBI:173010 - 23-ethyl-24,26-dimethylcholest-5,24(28)-dien-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 23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol
ChEBI ID CHEBI:173010
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52O
Net Charge 0
Average Mass 440.756
Monoisotopic Mass 440.40182
InChI InChI=1S/C31H52O/c1-8-20(3)22(5)23(9-2)18-21(4)27-12-13-28-26-11-10-24-19-25(32)14-16-30(24,6)29(26)15-17-31(27,28)7/h10,20-21,23,25-29,32H,5,8-9,11-19H2,1-4,6-7H3/t20?,21-,23?,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey XRLIJRWJZTXDCV-ZDEFQHOLSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC(CC)C(C(CC)C)=C)C)[H])(CC3)C)[H])(CC2)[H])[H])(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 23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol (CHEBI:173010) has parent hydride gorgostane (CHEBI:24424)
23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol (CHEBI:173010) is a steroid (CHEBI:35341)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-6-methyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
LMST01031056 LIPID MAPS
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