CHEBI:76423 - trans-2-octenedioyl-CoA

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ChEBI Name trans-2-octenedioyl-CoA ChEBI ID CHEBI:76423 ChEBI ASCII Name trans-2-octenedioyl-CoA Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H46N7O19P3S Net Charge 0 Average Mass 921.69700 Monoisotopic Mass 921.17820 InChI InChI=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 InChIKey UUCJVAJRAMBJMP-WBKFOJBMSA-N SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCC(O)=O Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (E)-2-octenedioyl-CoA ChEBI (E)-2-octenedioyl-coenzyme A ChEBI trans-2-octenedioyl-coenzyme A ChEBI Last Modified 26 November 2013