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CHEBI:80449 - trans-2-Enoyl-OPC8-CoA

Default Structure
ChEBI IDCHEBI:80449
ChEBI Nametrans-2-Enoyl-OPC8-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC39H62N7O18P3S
Net Charge0
Average Mass1041.945
Monoisotopic Mass1041.30849
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,11,14,23-26,28,32-34,38,50-51H,4,6-8,10,12-13,15-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-,14-11+/t25-,26-,28+,32+,33+,34?,38+/m0/s1
InChIKeyWDBPMRZYBZCIQE-PZZPGARMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
trans-2-Enoyl-OPC8-CoA (CHEBI:80449) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16328KEGG COMPOUND