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CHEBI:184891 - 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2

ChEBI IDCHEBI:184891
ChEBI Name26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38F6O2
Net Charge0
Average Mass520.598
Monoisotopic Mass520.27760
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(O)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CCC/C2=C\C=C1/C[C@@H](O)CCC1=C
InChIInChI=1S/C28H38F6O2/c1-17-8-12-22(35)16-21(17)11-10-20-6-5-15-25(4)23(13-14-24(20)25)18(2)7-9-19(3)26(36,27(29,30)31)28(32,33)34/h7,9-11,18-19,22-24,35-36H,1,5-6,8,12-16H2,2-4H3/b9-7+,20-10+,21-11+/t18-,19+,22+,23-,24+,25-/m1/s1
InChIKeyWIHFNGKRMGPABR-SBFIBYMCSA-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)
26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2 (CHEBI:184891) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-triluoro-6-hydroxy-5-methyl-6-(triluoromethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
LMST03010008LIPID MAPS
113385463ChemSpider