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CHEBI:184739 - 2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3

ChEBI IDCHEBI:184739
ChEBI Name2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H41FO4
Net Charge0
Average Mass424.597
Monoisotopic Mass424.29889
SMILES[H][C@@]12CC[C@]([H])([C@H](C)OCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C(F)[C@H](O)C1
InChIInChI=1S/C25H41FO4/c1-16(30-13-12-24(2,3)29)19-9-10-20-18(6-5-11-25(19,20)4)8-7-17-14-21(27)23(26)22(28)15-17/h7-8,16,19-23,27-29H,5-6,9-15H2,1-4H3/b17-7-,18-8+/t16-,19+,20-,21+,22+,23?,25+/m0/s1
InChIKeyIWGFRYMZFYVCFY-XQHPLAEJSA-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)
2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 (CHEBI:184739) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3R)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-luorocyclohexane-1,3-diol
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