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CHEBI:137137 - (5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

ChEBI IDCHEBI:137137
ChEBI Name(5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
Stars
ASCII Name(5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
Last Modified25 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC26H39F3O2
Net Charge0
Average Mass440.590
Monoisotopic Mass440.29022
SMILES[H][C@]1([C@]([H])(C)CCCC(O)C(F)(F)F)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C
InChIInChI=1S/C26H39F3O2/c1-17-9-12-21(30)16-20(17)11-10-19-7-5-15-25(3)22(13-14-23(19)25)18(2)6-4-8-24(31)26(27,28)29/h10-11,18,21-24,30-31H,1,4-9,12-16H2,2-3H3/b19-10+,20-11-/t18-,21+,22-,23+,24?,25-/m1/s1
InChIKeyQZGLVEKNRHZOIB-PXKDVQFDSA-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)
(5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol (CHEBI:137137) is a vitamin D (CHEBI:27300)
Synonyms  Source
26,26,26-trifluoro-25-hydroxy-27-norvitamin D3LIPID MAPS
26,26,26-trifluoro-25-hydroxy-27-norcholecalciferolLIPID MAPS
Manual XrefsDatabases
LMST03020024LIPID MAPS