CHEBI:172989 - 4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-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 4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol
ChEBI ID CHEBI:172989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O
Net Charge 0
Average Mass 424.713
Monoisotopic Mass 424.37052
InChI InChI=1S/C30H48O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h12,14,19,21-24,27,31H,3,9-11,13,15-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
InChIKey MQQBTSOGCQNWAX-VSADUBDNSA-N
SMILES O[C@@H]1[C@H]([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCC(C(C)C)=C)C)[H])(CC3)C)C)=CC2)(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 4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol (CHEBI:172989) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
4446742 ChemSpider
LMST01030107 LIPID MAPS
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