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CHEBI:184186 - (17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norvitamin D3 / (17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norcholecalciferol

ChEBI IDCHEBI:184186
ChEBI Name(17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norvitamin D3 / (17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norcholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O3
Net Charge0
Average Mass400.603
Monoisotopic Mass400.29775
SMILES[H][C@@]12CC/C(=C\CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C26H40O3/c1-18-20(16-22(27)17-24(18)28)11-10-19-8-7-15-26(4)21(12-13-23(19)26)9-5-6-14-25(2,3)29/h9-11,22-24,27-29H,1,5-8,12-17H2,2-4H3/b19-10+,20-11-,21-9+/t22-,23+,24+,26-/m1/s1
InChIKeyWAQLIOVKGGWXKO-BSEONHEZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
(17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norvitamin D3 / (17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norcholecalciferol (CHEBI:184186) is a steroid (CHEBI:35341)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1E,3aS,7aS)-1-(5-hydroxy-5-methylhexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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7826235ChemSpider
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