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CHEBI:137139 - (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene

Default Structure
ChEBI IDCHEBI:137139
ChEBI Name(5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
Stars
ASCII Name(5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
Last Modified26 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H44
Net Charge0
Average Mass368.649
Monoisotopic Mass368.34430
SMILES[H][C@]1([C@]([H])(C)CCCC(C)C)CC[C@@]2([H])/C(=C/C=C3/CCCCC3=C)CCC[C@]12C
InChIInChI=1S/C27H44/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h15-16,20,22,25-26H,3,6-14,17-19H2,1-2,4-5H3/b23-15-,24-16+/t22-,25-,26+,27-/m1/s1
InChIKeyFXKMDILIEQILCA-VDVRBEGSSA-N
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)-9,10-seco-5,7,10(19)-cholestatriene (CHEBI:137139) is a vitamin D (CHEBI:27300)
Synonym  Source
3-Deoxyvitamin D3LIPID MAPS
Manual XrefsDatabases
LMST03020618LIPID MAPS