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CHEBI:178728 - (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol

ChEBI IDCHEBI:178728
ChEBI Name(24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O4
Net Charge0
Average Mass416.602
Monoisotopic Mass416.29266
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](O)C3CO3)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C26H40O4/c1-16(6-11-23(28)25-15-30-25)21-9-10-22-18(5-4-12-26(21,22)3)7-8-19-13-20(27)14-24(29)17(19)2/h7-8,16,20-25,27-29H,2,4-6,9-15H2,1,3H3/b18-7+,19-8-/t16-,20-,21-,22+,23+,24+,25?,26-/m1/s1
InChIKeyCKMUTKJMMMBQHA-ASSMWGRUSA-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)
(24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol (CHEBI:178728) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-5-(oxiran-2-yl)pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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