CHEBI:230360 - 24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol

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ChEBI Name 24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol
ChEBI ID CHEBI:230360
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H43FO2
Net Charge 0
Average Mass 418.637
Monoisotopic Mass 418.32471
InChI InChI=1S/C27H43FO2/c1-18-8-12-22(29)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(28)26(3,4)30/h10-11,19,22-25,29-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25?,27-/m1/s1
InChIKey QNXAFTJRYUGRPP-SRLFHJKTSA-N
SMILES FC(CC[C@H]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)CCC3=C)C)C)C(O)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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 24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol (CHEBI:230360) is a vitamin D (CHEBI:27300)
IUPAC Name
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-luoro-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 Xrefs Databases
7826361 ChemSpider
LMST03020210 LIPID MAPS
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