CHEBI:185803 - 23,23-difluoro-25-hydroxyvitamin D3

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ChEBI Name 23,23-difluoro-25-hydroxyvitamin D3
ChEBI ID CHEBI:185803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42F2O2
Net Charge 0
Average Mass 436.628
Monoisotopic Mass 436.31529
InChI InChI=1S/C27H42F2O2/c1-18-8-11-22(30)15-21(18)10-9-20-7-6-14-26(5)23(12-13-24(20)26)19(2)16-27(28,29)17-25(3,4)31/h9-10,19,22-24,30-31H,1,6-8,11-17H2,2-5H3/b20-9-,21-10-
InChIKey QHPKSIWDAYRSIM-UPVMUGGESA-N
SMILES FC(F)(CC(C1C2(C(CC1)/C(/CCC2)=C\C=C/3\CC(O)CCC3=C)C)C)CC(O)(C)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 23,23-difluoro-25-hydroxyvitamin D3 (CHEBI:185803) is a vitamin D (CHEBI:27300)
IUPAC Name
(3Z)-3-[(2Z)-2-[1-(4,4-diluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual Xref Database
4943111 ChemSpider
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Registry Number Type Source
95826-03-2 CAS Registry Number ChemIDplus