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CHEBI:186501 - 1alpha,25-Dihydroxyvitamin D3 25-trimethylsilyl ether

ChEBI IDCHEBI:186501
ChEBI Name1alpha,25-Dihydroxyvitamin D3 25-trimethylsilyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3Si
Net Charge0
Average Mass488.829
Monoisotopic Mass488.36857
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O[Si](C)(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C30H52O3Si/c1-21(11-9-17-29(3,4)33-34(6,7)8)26-15-16-27-23(12-10-18-30(26,27)5)13-14-24-19-25(31)20-28(32)22(24)2/h13-14,21,25-28,31-32H,2,9-12,15-20H2,1,3-8H3/b23-13+,24-14-/t21-,25-,26-,27+,28+,30-/m1/s1
InChIKeyUFWCSLYGOILTDD-JJADZVGUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-Dihydroxyvitamin D3 25-trimethylsilyl ether (CHEBI:186501) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
24823376ChemSpider
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