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CHEBI:173070 - (5Z,7E)-(3S)-25-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol

ChEBI IDCHEBI:173070
ChEBI Name(5Z,7E)-(3S)-25-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43FO
Net Charge0
Average Mass402.638
Monoisotopic Mass402.32979
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)F)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C27H43FO/c1-19-10-13-23(29)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)28/h11-12,20,23-25,29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChIKeyYLVZXKUOEBIAHY-DTOXIADCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
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)
(5Z,7E)-(3S)-25-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol (CHEBI:173070) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-luoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
LMST03020663LIPID MAPS
20144900ChemSpider