EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:185398
ChEBI Name26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40D6O2
Net Charge0
Average Mass420.711
Monoisotopic Mass420.38744
SMILES[2H]C([2H])([2H])C(O)(CCCC(C)C1CC[C@@]2(C)C(=CC=C3CC(O)CCC3=C)CCC[C@]12C)C([2H])([2H])[2H]
InChIInChI=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
InChIKeyHVIKBKNRBBKHKC-GSWSTAFHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
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