CHEBI:173027 - 24E-ethylidene-25-methylcholest-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 24E-ethylidene-25-methylcholest-5-en-3beta-ol
ChEBI ID CHEBI:173027
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-8-21(28(3,4)5)10-9-20(2)25-13-14-26-24-12-11-22-19-23(31)15-17-29(22,6)27(24)16-18-30(25,26)7/h8,11,20,23-27,31H,9-10,12-19H2,1-7H3/b21-8+/t20-,23+,24?,25-,26+,27+,29+,30-/m1/s1
InChIKey LGTNGUBXDMOGTF-JPPFHWGDSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CC/C(/C(C)(C)C)=C\C)C)[H])(CC3)C)[H])CC2)[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 24E-ethylidene-25-methylcholest-5-en-3beta-ol (CHEBI:173027) has parent hydride stigmastane (CHEBI:26773)
24E-ethylidene-25-methylcholest-5-en-3beta-ol (CHEBI:173027) is a steroid (CHEBI:35341)
IUPAC Name
(3S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-tert-butylhept-5-en-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
LMST01040165 LIPID MAPS
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