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CHEBI:183032 - (24R)-6,19-epidioxy-1,24-dihydroxy-6,19-dihydrovitamin D3 / (24R)-6,19-epidioxy-1,24-di hydroxy-6,19-dihydrocholecalciferol

ChEBI IDCHEBI:183032
ChEBI Name(24R)-6,19-epidioxy-1,24-dihydroxy-6,19-dihydrovitamin D3 / (24R)-6,19-epidioxy-1,24-di hydroxy-6,19-dihydrocholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O5
Net Charge0
Average Mass448.644
Monoisotopic Mass448.31887
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@H](O)CC(C)C)[C@@]1(C)CCC/C2=C\C1OOCC2=C1C[C@@H](O)C[C@@H]2O
InChIInChI=1S/C27H44O5/c1-16(2)10-19(28)11-17(3)23-7-8-24-18(6-5-9-27(23,24)4)12-26-21-13-20(29)14-25(30)22(21)15-31-32-26/h12,16-17,19-20,23-26,28-30H,5-11,13-15H2,1-4H3/b18-12+/t17-,19-,20-,23-,24+,25+,26?,27-/m1/s1
InChIKeyDKYWDJRYWSGSCA-HDINTAEKSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
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)
(24R)-6,19-epidioxy-1,24-dihydroxy-6,19-dihydrovitamin D3 / (24R)-6,19-epidioxy-1,24-di hydroxy-6,19-dihydrocholecalciferol (CHEBI:183032) is a vitamin D (CHEBI:27300)
IUPAC Name 
(5S,7R)-1-[(E)-[(1R,3aS,7aR)-1-[(2R,4R)-4-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,4,5,6,7,8-hexahydro-2,3-benzodioxine-5,7-diol
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