CHEBI:185398 - 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3

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ChEBI Name 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3
ChEBI ID CHEBI:185398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40D6O2
Net Charge 0
Average Mass 420.711
Monoisotopic Mass 420.38744
InChI InChI=1S/C28H46O2/c1-20-11-14-24(29)19-22(20)12-13-23-10-8-17-28(6)25(15-18-27(23,28)5)21(2)9-7-16-26(3,4)30/h12-13,21,24-25,29-30H,1,7-11,14-19H2,2-6H3/t21?,24?,25?,27-,28+/m0/s1/i3D3,4D3
InChIKey HVIKBKNRBBKHKC-GSWSTAFHSA-N
SMILES OC(CCCC(C1[C@@]2([C@@](CC1)(C(CCC2)=CC=C3CC(O)CCC3=C)C)C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3 (CHEBI:185398) is a vitamin D (CHEBI:27300)
IUPAC Name
3-[2-[(3aS,7aR)-3a,7a-dimethyl-1-[7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol