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CHEBI:187959 - C-9,11,21-Trisnor-17-methyl-1alpha,25-dihydroxyvitamin D3

ChEBI IDCHEBI:187959
ChEBI NameC-9,11,21-Trisnor-17-methyl-1alpha,25-dihydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O3
Net Charge0
Average Mass378.597
Monoisotopic Mass378.31340
SMILESCC(C)(O)CCCC[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C
InChIInChI=1S/C24H42O3/c1-22(2,27)12-6-7-13-24(5)14-11-19(23(24,3)4)10-8-9-18-15-20(25)17-21(26)16-18/h8-10,19-21,25-27H,6-7,11-17H2,1-5H3/b10-8+/t19-,20-,21-,24+/m1/s1
InChIKeyFJRQLENTBQARPH-QRDPLHEUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
C-9,11,21-Trisnor-17-methyl-1alpha,25-dihydroxyvitamin D3 (CHEBI:187959) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1R,3R)-5-[(E)-3-[(1S,3S)-3-(5-hydroxy-5-methylhexyl)-2,2,3-trimethylcyclopentyl]prop-2-enylidene]cyclohexane-1,3-diol
Manual XrefsDatabases
LMST03020615LIPID MAPS
23138212ChemSpider