CHEBI:68471 - (Z)-2,3-dehydroadipoyl-CoA

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ChEBI Name (Z)-2,3-dehydroadipoyl-CoA
ChEBI ID CHEBI:68471
ChEBI ASCII Name (Z)-2,3-dehydroadipoyl-CoA
Definition A 2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the enoic carboxy group of (Z)-hex-2-enedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H42N7O19P3S
Net Charge 0
Average Mass 893.64400
Monoisotopic Mass 893.147
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)/b6-4-/t15-,20-,21-,22+,26-/m1/s1
InChIKey ZFXICKRXPZTFPB-FZHFFJAKSA-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/CCC(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 (Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471) has functional parent 2-hexenedioic acid (CHEBI:36192)
(Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471) is a 2-enoyl-CoA (CHEBI:19573)
(Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471) is conjugate acid of (Z)-2,3-dehydroadipyl-CoA(5−) (CHEBI:67261)
Incoming (Z)-2,3-dehydroadipyl-CoA(5−) (CHEBI:67261) is conjugate base of (Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2Z)-(5-carboxypent-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
2,3-dehydroadipyl-CoA ChEBI
Last Modified
15 November 2012