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

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ChEBI Name (5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
ChEBI ID CHEBI:137137
ChEBI ASCII Name (5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H39F3O2
Net Charge 0
Average Mass 440.583
Monoisotopic Mass 440.29021
InChI InChI=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
InChIKey QZGLVEKNRHZOIB-PXKDVQFDSA-N
SMILES C1C[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@]2(CC[C@]3([H])[C@](CCCC(C(F)(F)F)O)([H])C)[H])C)/C1=C)O
Roles Classification
Biological Role(s): 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.
(via vitamin D )
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ChEBI Ontology
Outgoing (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 Sources
26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol LIPID MAPS
26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 LIPID MAPS
Manual Xref Database
LMST03020024 LIPID MAPS
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Last Modified
25 May 2017