CHEBI:67261 - (Z)-2,3-dehydroadipyl-CoA(5−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (Z)-2,3-dehydroadipyl-CoA(5−) ChEBI ID CHEBI:67261 ChEBI ASCII Name (Z)-2,3-dehydroadipyl-CoA(5-) Definition An acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2,3-dehydroadipyl-CoA. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C27H37N7O19P3S Net Charge -5 Average Mass 888.60400 Monoisotopic Mass 888.11052 InChI InChI=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 InChIKey ZFXICKRXPZTFPB-FZHFFJAKSA-I 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/CCC([O-])=O ChEBI Ontology Outgoing (Z)-2,3-dehydroadipyl-CoA(5−) (CHEBI:67261) is a acyl-CoA oxoanion (CHEBI:58946) (Z)-2,3-dehydroadipyl-CoA(5−) (CHEBI:67261) is conjugate base of (Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471) Incoming (Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471) is conjugate acid of (Z)-2,3-dehydroadipyl-CoA(5−) (CHEBI:67261) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2Z)-(5-carboxylatopent-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} Synonyms Sources (Z)-2,3-didehydroadipyl-CoA UniProt 2,3-dehydroadipoyl-coenzyme A(5−) ChEBI Manual Xref Database CPD0-2365 MetaCyc View more database links Citation Type Source 20660314 PubMed citation SUBMITTER Last Modified 08 October 2021