CHEBI:184671 - 24,24-Difluoro-1,25,26-trihydroxyvitamin D3

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ChEBI Name 24,24-Difluoro-1,25,26-trihydroxyvitamin D3
ChEBI ID CHEBI:184671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42F2O4
Net Charge 0
Average Mass 456.615
Monoisotopic Mass 456.30512
InChI InChI=1S/C26H42F2O4/c1-17(10-12-26(27,28)25(3,32)16-29)22-8-9-23-19(5-4-11-24(22,23)2)7-6-18-13-20(30)15-21(31)14-18/h6-7,17,20-23,29-32H,4-5,8-16H2,1-3H3/b19-7+/t17-,20-,21-,22-,23+,24-,25?/m1/s1
InChIKey NVLXCHQJLPXKLB-AKYQOPFMSA-N
SMILES FC(F)(CC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)C[C@H](O)C3)[H])C)[H])C)C(O)(CO)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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 24,24-Difluoro-1,25,26-trihydroxyvitamin D3 (CHEBI:184671) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,5-diluoro-6,7-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Manual Xrefs Databases
24823374 ChemSpider
LMST03020647 LIPID MAPS
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