CHEBI:184891 - 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2

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ChEBI Name 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2
ChEBI ID CHEBI:184891
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38F6O2
Net Charge 0
Average Mass 520.600
Monoisotopic Mass 520.27760
InChI InChI=1S/C28H38F6O2/c1-17-8-12-22(35)16-21(17)11-10-20-6-5-15-25(4)23(13-14-24(20)25)18(2)7-9-19(3)26(36,27(29,30)31)28(32,33)34/h7,9-11,18-19,22-24,35-36H,1,5-6,8,12-16H2,2-4H3/b9-7+,20-10+,21-11+/t18-,19+,22+,23-,24+,25-/m1/s1
InChIKey WIHFNGKRMGPABR-SBFIBYMCSA-N
SMILES FC(F)(F)C(O)([C@H](\C=C\[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)CCC3=C)[H])C)[H])C)C)C(F)(F)F
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 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2 (CHEBI:184891) is a vitamin D (CHEBI:27300)
IUPAC Name
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-triluoro-6-hydroxy-5-methyl-6-(triluoromethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual Xrefs Databases
113385463 ChemSpider
LMST03010008 LIPID MAPS
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