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CHEBI:179143 - 1alpha,25-dihydroxy-24-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol

ChEBI IDCHEBI:179143
ChEBI Name1alpha,25-dihydroxy-24-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILES[H][C@@]12CC[C@]([H])([C@H](C)OCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C25H40O4/c1-16-19(13-20(26)14-23(16)27)9-8-18-7-6-12-25(5)21(10-11-22(18)25)17(2)29-15-24(3,4)28/h8-9,17,20-23,26-28H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,25+/m0/s1
InChIKeyUMRLCGLUMINBCT-NPNXQCSOSA-N
Roles Classification
Biological Role:
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
ChEBI Ontology
Outgoing Relation(s)
1alpha,25-dihydroxy-24-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol (CHEBI:179143) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(2-hydroxy-2-methylpropoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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