CHEBI:80511 - (2E)-5-Methylhexa-2,4-dienoyl-CoA

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ChEBI Name (2E)-5-Methylhexa-2,4-dienoyl-CoA
ChEBI ID CHEBI:80511
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H44N7O17P3S
Net Charge 0
Average Mass 875.67200
Monoisotopic Mass 875.17273
InChI InChI=1S/C28H44N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h5-7,14-15,17,21-23,27,38-39H,8-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/b7-5+/t17-,21-,22-,23?,27-/m1/s1
InChIKey IFMYVRQEHQTINS-DKIDORRISA-N
SMILES CC(C)=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing (2E)-5-Methylhexa-2,4-dienoyl-CoA (CHEBI:80511) is a organic molecule (CHEBI:72695)
Manual Xref Database
C16468 KEGG COMPOUND
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Last Modified
27 January 2016