CHEBI:172991 - 24-methylcholesta-5,24-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 24-methylcholesta-5,24-dien-3beta-ol
ChEBI ID CHEBI:172991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O
Net Charge 0
Average Mass 398.675
Monoisotopic Mass 398.35487
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,20,22-26,29H,7-8,10-17H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey YTFTXKBJICNYCV-PXBBAZSNSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(=C(C)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 24-methylcholesta-5,24-dien-3beta-ol (CHEBI:172991) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-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 Xrefs Databases
167978 ChemSpider
LMST01030110 LIPID MAPS
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Registry Number Type Source
20780-41-0 CAS Registry Number ChemIDplus