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CHEBI:186217 - 24-methylene-cholesterol sulfate

ChEBI IDCHEBI:186217
ChEBI Name24-methylene-cholesterol sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4S
Net Charge0
Average Mass478.739
Monoisotopic Mass478.31168
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=C)C(C)C
InChIInChI=1S/C28H46O4S/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(32-33(29,30)31)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26H,3,7-8,10-17H2,1-2,4-6H3,(H,29,30,31)/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeyAMOPPXJCFANYMU-PXBBAZSNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
24-methylene-cholesterol sulfate (CHEBI:186217) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
Manual XrefsDatabases
LMST05020012LIPID MAPS
24823404ChemSpider