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CHEBI:80457 - trans-2-Enoyl-OPC4-CoA

ChEBI IDCHEBI:80457
ChEBI Nametrans-2-Enoyl-OPC4-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC35H54N7O18P3S
Net Charge0
Average Mass985.837
Monoisotopic Mass985.24589
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1C/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/C35H54N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-7,10,19-22,24,28-30,34,46-47H,4,8-9,11-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-,10-7+/t21-,22-,24+,28+,29+,30?,34+/m0/s1
InChIKeyQSAQFDYWYNLXEC-IFIHXBIBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
trans-2-Enoyl-OPC4-CoA (CHEBI:80457) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16336KEGG COMPOUND