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CHEBI:196393 - (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol

Default Structure
ChEBI IDCHEBI:196393
ChEBI Name(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41D3O3
Net Charge0
Average Mass419.664
Monoisotopic Mass419.34788
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C([2H])=C1/C[C@@H](O)CCC1=C([2H])[2H]
InChIInChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11+/t19-,22+,23-,24+,25-,27-/m1/s1/i1D2,11D
InChIKeyFCKJYANJHNLEEP-GELOLRRZSA-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)
(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol (CHEBI:196393) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2E)-2-deuterio-2-[(5S)-2-(dideuteriomethylidene)-5-hydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
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