CHEBI:78177 - trans-2-undecenoyl-CoA

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ChEBI Name trans-2-undecenoyl-CoA ChEBI ID CHEBI:78177 ChEBI ASCII Name trans-2-undecenoyl-CoA Definition A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-undecenoic 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 C32H54N7O17P3S Net Charge 0 Average Mass 933.79400 Monoisotopic Mass 933.25098 InChI InChI=1S/C32H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h11-12,19-21,25-27,31,42-43H,4-10,13-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/b12-11+/t21-,25-,26-,27+,31-/m1/s1 InChIKey CAVMKINPGRCURL-PHHHIDLGSA-N SMILES CCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 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 trans-2-undecenoyl-CoA (CHEBI:78177) has functional parent trans-undec-2-enoic acid (CHEBI:39450) trans-2-undecenoyl-CoA (CHEBI:78177) is a trans-2-enoyl-CoA (CHEBI:50998) trans-2-undecenoyl-CoA (CHEBI:78177) is a medium-chain fatty acyl-CoA (CHEBI:61907) trans-2-undecenoyl-CoA (CHEBI:78177) is a monounsaturated fatty acyl-CoA (CHEBI:139575) trans-2-undecenoyl-CoA (CHEBI:78177) is conjugate acid of trans-2-undecenoyl-CoA(4−) (CHEBI:77548) Incoming trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is conjugate base of trans-2-undecenoyl-CoA (CHEBI:78177) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-undec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources (E)-2-undecenoyl-CoA ChEBI (E)-2-undecenoyl-coenzyme A ChEBI 2-trans-undecenoyl-CoA MetaCyc 2E-undecenoyl-CoA MetaCyc trans-2-undecenoyl-coenzyme A ChEBI Manual Xref Database CPD-15656 MetaCyc View more database links Registry Number Type Source 24679352 Reaxys Registry Number Reaxys Last Modified 05 February 2018