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CHEBI:80514 - 5-Methyl-3-oxo-4-hexenoyl-CoA

ChEBI IDCHEBI:80514
ChEBI Name5-Methyl-3-oxo-4-hexenoyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC28H44N7O18P3S
Net Charge0
Average Mass891.680
Monoisotopic Mass891.16764
SMILESCC(C)=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C28H44N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,17,21-23,27,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,21-,22-,23?,27-/m1/s1
InChIKeyZFKZVSUJTDSJEY-AXEMQUGESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
5-Methyl-3-oxo-4-hexenoyl-CoA (CHEBI:80514) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16471KEGG COMPOUND