CHEBI:80453 - trans-2-Enoyl-OPC6-CoA

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ChEBI Name trans-2-Enoyl-OPC6-CoA
ChEBI ID CHEBI:80453
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H58N7O18P3S
Net Charge 0
Average Mass 1013.87900
Monoisotopic Mass 1013.27719
InChI InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,9,12,21-24,26,30-32,36,48-49H,4,6,8,10-11,13-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-,12-9+/t23-,24-,26+,30+,31+,32?,36+/m0/s1
InChIKey IEENEQSEOWXDQK-XZBPECGBSA-N
SMILES CC\C=C/C[C@H]1[C@@H](CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)CCC1=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing trans-2-Enoyl-OPC6-CoA (CHEBI:80453) is a organic molecule (CHEBI:72695)
Manual Xref Database
C16332 KEGG COMPOUND
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Last Modified
27 January 2016