CHEBI:85886 - 3-dehydrocarnityl CoA

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ChEBI Name 3-dehydrocarnityl CoA ChEBI ID CHEBI:85886 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-dehydrocarnitine. 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 C28H48N8O18P3S Net Charge +1 Average Mass 909.70900 Monoisotopic Mass 909.20147 InChI InChI=1S/C28H47N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-15,17,21-23,27,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p+1/t17-,21-,22-,23+,27-/m1/s1 InChIKey QNOIWONXQXNHSB-SVHODSNWSA-O 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)CC(=O)C[N+](C)(C)C Metabolite of Species Details Pseudomonas aeruginosa (NCBI:txid287) See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-dehydrocarnityl CoA (CHEBI:85886) has functional parent 3-dehydrocarnitine (CHEBI:57885) 3-dehydrocarnityl CoA (CHEBI:85886) has role bacterial metabolite (CHEBI:76969) 3-dehydrocarnityl CoA (CHEBI:85886) is a acyl-CoA (CHEBI:17984) 3-dehydrocarnityl CoA (CHEBI:85886) is a quaternary ammonium ion (CHEBI:35267) 3-dehydrocarnityl CoA (CHEBI:85886) is conjugate acid of 3-dehydrocarnityl CoA(3−) (CHEBI:85404) Incoming 3-dehydrocarnityl CoA(3−) (CHEBI:85404) is conjugate base of 3-dehydrocarnityl CoA (CHEBI:85886) Synonym Source 3-dehydrocarnityl coenzyme A ChEBI Citation Type Source 19406895 PubMed citation Europe PMC Last Modified 27 May 2015