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CHEBI:178726 - 1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3

ChEBI IDCHEBI:178726
ChEBI Name1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O4
Net Charge0
Average Mass416.602
Monoisotopic Mass416.29266
SMILES[H][C@@]12CC=C([C@H](C)CCC(=O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C[C@H](O)C1
InChIInChI=1S/C26H40O4/c1-17(7-12-24(29)25(2,3)30)22-10-11-23-19(6-5-13-26(22,23)4)9-8-18-14-20(27)16-21(28)15-18/h8-10,17,20-21,23,27-28,30H,5-7,11-16H2,1-4H3/b19-9+/t17-,20-,21-,23+,26-/m1/s1
InChIKeyKEHHENHIHMFJAY-AVVHVZKBSA-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-16-ene-19-nor-24-oxovitamin D3 (CHEBI:178726) is a vitamin D (CHEBI:27300)
IUPAC Name 
(6R)-6-[(3aS,4E,7aS)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2-hydroxy-2-methylheptan-3-one
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