CHEBI:63251 - 2-oxepin-2(3H)-ylideneacetyl-CoA

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ChEBI Name 2-oxepin-2(3H)-ylideneacetyl-CoA ChEBI ID CHEBI:63251 ChEBI ASCII Name 2-oxepin-2(3H)-ylideneacetyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-oxepin-2(3H)-ylideneacetic 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 C29H42N7O18P3S Net Charge 0 Average Mass 901.66600 Monoisotopic Mass 901.15199 InChI InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b17-12-/t18-,22-,23-,24+,28-/m1/s1 InChIKey ZQZCWPBSHHYCMM-BETJHJQZSA-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=C1\CC=CC=CO1 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 2-oxepin-2(3H)-ylideneacetyl-CoA (CHEBI:63251) is a acyl-CoA (CHEBI:17984) 2-oxepin-2(3H)-ylideneacetyl-CoA (CHEBI:63251) is conjugate acid of 2-oxepin-2(3H)-ylideneacetyl-CoA(4−) (CHEBI:63252) Incoming 2-oxepin-2(3H)-ylideneacetyl-CoA(4−) (CHEBI:63252) is conjugate base of 2-oxepin-2(3H)-ylideneacetyl-CoA (CHEBI:63251) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[oxepin-2(3H)-ylideneacetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonym Source oxepin-CoA MetaCyc Manual Xref Database CPD0-2363 MetaCyc View more database links Citations Types Sources 20660314 PubMed citation Europe PMC 21296885 PubMed citation Europe PMC Last Modified 24 November 2011