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CHEBI:230360 - 24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol

ChEBI IDCHEBI:230360
ChEBI Name24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43FO2
Net Charge0
Average Mass418.637
Monoisotopic Mass418.32471
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCC(F)C(C)(C)O)CC[C@@H]12
InChIInChI=1S/C27H43FO2/c1-18-8-12-22(29)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(28)26(3,4)30/h10-11,19,22-25,29-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25?,27-/m1/s1
InChIKeyQNXAFTJRYUGRPP-SRLFHJKTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol (CHEBI:230360) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-luoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
7826361ChemSpider
LMST03020210LIPID MAPS