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CHEBI:76423 - trans-2-octenedioyl-CoA

ChEBI IDCHEBI:76423
ChEBI Nametrans-2-octenedioyl-CoA
Stars
ASCII Nametrans-2-octenedioyl-CoA
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2E)-oct-2-enedioic acid.
Last Modified26 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC29H46N7O19P3S
Net Charge0
Average Mass921.706
Monoisotopic Mass921.17820
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/CCCCC(=O)O
InChIInChI=1S/C29H46N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h6,8,15-17,22-24,28,41-42H,3-5,7,9-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b8-6+/t17-,22-,23-,24+,28-/m1/s1
InChIKeyUUCJVAJRAMBJMP-WBKFOJBMSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
trans-2-octenedioyl-CoA (CHEBI:76423) is a acyl-CoA (CHEBI:17984)
trans-2-octenedioyl-CoA (CHEBI:76423) is conjugate acid of trans-2-octenedioyl-CoA(5−) (CHEBI:76330)
Incoming Relation(s)
trans-2-octenedioyl-CoA(5−) (CHEBI:76330) is conjugate base of trans-2-octenedioyl-CoA (CHEBI:76423)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-7-carboxyhept-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(E)-2-octenedioyl-coenzyme AChEBI
trans-2-octenedioyl-coenzyme AChEBI
(E)-2-octenedioyl-CoAChEBI