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

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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
Formula C27H37N7O19P3S
Net Charge -5
Average Mass 888.60400
Monoisotopic Mass 888.108
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
2,3-dehydroadipoyl-coenzyme A(5−) ChEBI
2,3-didehydroadipyl-CoA UniProt
Database Link Database
CPD0-2365 MetaCyc
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Citation Waiting for Citations Type Source
20660314 PubMed citation SUBMITTER
Last Modified
25 April 2013