EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:80453
ChEBI Nametrans-2-Enoyl-OPC6-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC37H58N7O18P3S
Net Charge0
Average Mass1013.891
Monoisotopic Mass1013.27719
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCC/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/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
InChIKeyIEENEQSEOWXDQK-XZBPECGBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
trans-2-Enoyl-OPC6-CoA (CHEBI:80453) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16332KEGG COMPOUND