CHEBI:137764 - 4,4-difluoro-1α-hydroxyvitamin D3

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ChEBI Name 4,4-difluoro-1α-hydroxyvitamin D3
ChEBI ID CHEBI:137764
ChEBI ASCII Name 4,4-difluoro-1alpha-hydroxyvitamin D3
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H42F2O2
Net Charge 0
Average Mass 436.619
Monoisotopic Mass 436.31529
InChI InChI=1S/C27H42F2O2/c1-17(2)8-6-9-18(3)21-13-14-23-20(10-7-15-26(21,23)5)11-12-22-19(4)24(30)16-25(31)27(22,28)29/h11-12,17-18,21,23-25,30-31H,4,6-10,13-16H2,1-3,5H3/b20-11+,22-12+/t18-,21-,23+,24+,25-,26-/m1/s1
InChIKey QVGZNWYNOVNFGG-PZDMXMQUSA-N
SMILES [C@@H]1(C[C@H](C(/C(=C/C=C/2\CCC[C@]3([C@]2(CC[C@]3([H])[C@](CCCC(C)C)([H])C)[H])C)/C1=C)(F)F)O)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 4,4-difluoro-1α-hydroxyvitamin D3 (CHEBI:137764) is a vitamin D (CHEBI:27300)
Synonyms Sources
(5E,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol LIPID MAPS
4,4-difluoro-1α-hydroxycholecalciferol LIPID MAPS
Manual Xref Database
LMST03020138 LIPID MAPS
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Last Modified
11 July 2017