EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:195329 - (E)-2,3-didehydroadipoyl-CoA(5−)

ChEBI IDCHEBI:195329
ChEBI Name(E)-2,3-didehydroadipoyl-CoA(5−)
Stars
ASCII Name(E)-2,3-didehydroadipoyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of trans-2,3-dehydroadipyl-CoA.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H37N7O19P3S
Net Charge-5
Average Mass888.612
Monoisotopic Mass888.11052
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@@H](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)/p-5/b6-4+/t15-,20-,21-,22+,26-/m1/s1
InChIKeyZFXICKRXPZTFPB-KCQRSJHASA-I
ChEBI Ontology
Outgoing Relation(s)
(E)-2,3-didehydroadipoyl-CoA(5−) (CHEBI:195329) is a 2,3-didehydroadipoyl-CoA(5−) (CHEBI:71044)
Synonyms  Source
trans-2,3-didehydroadipoyl-CoASUBMITTER
(2E)-5-carboxy-2-pentenoyl-CoASUBMITTER
UniProt Name  Source
(E)-2,3-didehydroadipoyl-CoAUniProt
Manual XrefsDatabases
TRANS-23-DEHYDROADIPYL-COAMetaCyc
Citations