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CHEBI:34453 - 5-Carboxy-2-pentenoyl-CoA

ChEBI IDCHEBI:34453
ChEBI Name5-Carboxy-2-pentenoyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC27H42N7O19P3S
Net Charge0
Average Mass893.652
Monoisotopic Mass893.14690
SMILESCC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCC(=O)O
InChIInChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22?,26-/m1/s1
InChIKeyZFXICKRXPZTFPB-UWIQVNQSSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
5-Carboxy-2-pentenoyl-CoA (CHEBI:34453) is a polyol (CHEBI:26191)
Synonym  Source
5-Carboxy-2-pentenoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C14144KEGG COMPOUND
Registry NumbersSources
CAS:138149-18-5KEGG COMPOUND