4,4-difluoro-1alpha-hydroxyvitamin D3 (CHEBI:137764)

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

ChEBI ID	CHEBI:137764
ChEBI Name	4,4-difluoro-1α-hydroxyvitamin D₃
Stars
ASCII Name	4,4-difluoro-1alpha-hydroxyvitamin D3
Last Modified	11 July 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C27H42F2O2
Net Charge	0
Average Mass	436.627
Monoisotopic Mass	436.31529
SMILES	[H][C@]1([C@]([H])(C)CCCC(C)C)CC[C@@]2([H])/C(=C/C=C3\C(=C)[C@@H](O)C[C@@H](O)C3(F)F)CCC[C@]12C
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

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)
	4,4-difluoro-1α-hydroxyvitamin D₃ (CHEBI:137764) is a vitamin D (CHEBI:27300)

Synonyms	Source
(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 Xrefs	Databases
LMST03020138	LIPID MAPS

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

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