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CHEBI:49295 - trans-2,3-didehydroadipoyl-CoA

ChEBI IDCHEBI:49295
ChEBI Nametrans-2,3-didehydroadipoyl-CoA
Stars
ASCII Nametrans-2,3-didehydroadipoyl-CoA
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2,3-didehydroadipic acid.
Last Modified22 July 2011
SubmitterMarcus Ennis
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@@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)/b6-4+/t15-,20-,21-,22+,26-/m1/s1
InChIKeyZFXICKRXPZTFPB-KCQRSJHASA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
trans-2,3-didehydroadipoyl-CoA (CHEBI:49295) has functional parent adipoyl-CoA (CHEBI:34528)
trans-2,3-didehydroadipoyl-CoA (CHEBI:49295) is a acyl-CoA (CHEBI:17984)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-5-carboxypent-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(E)-3,4-dehydroadipoyl-CoAChEBI