CHEBI:75061 - trans-2-icosenoyl-CoA

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ChEBI Name trans-2-icosenoyl-CoA ChEBI ID CHEBI:75061 ChEBI ASCII Name trans-2-icosenoyl-CoA Definition A 2,3-trans-enoyl CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-icosenoic 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 C41H72N7O17P3S Net Charge 0 Average Mass 1060.03300 Monoisotopic Mass 1059.39183 InChI InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h20-21,28-30,34-36,40,51-52H,4-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b21-20+/t30-,34-,35-,36+,40-/m1/s1 InChIKey ROOFWBIMBMJYGA-DSAUMYHJSA-N SMILES CCCCCCCCCCCCCCCCC\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-icosenoyl-CoA (CHEBI:75061) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) trans-2-icosenoyl-CoA (CHEBI:75061) is a trans-2-enoyl-CoA (CHEBI:50998) trans-2-icosenoyl-CoA (CHEBI:75061) is a long-chain fatty acyl-CoA (CHEBI:33184) trans-2-icosenoyl-CoA (CHEBI:75061) is a monounsaturated fatty acyl-CoA (CHEBI:139575) trans-2-icosenoyl-CoA (CHEBI:75061) is conjugate acid of trans-2-icosenoyl-CoA(4−) (CHEBI:74691) Incoming trans-2-icosenoyl-CoA(4−) (CHEBI:74691) is conjugate base of trans-2-icosenoyl-CoA (CHEBI:75061) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-icos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (E)-2-eicosenoyl-CoA ChEBI (E)-2-eicosenoyl-coenzyme A ChEBI (E)-2-icosenoyl-CoA ChEBI (E)-2-icosenoyl-coenzyme A ChEBI trans-2-eicosenoyl-CoA ChEBI trans-2-eicosenoyl-coenzyme A ChEBI trans-2-icosenoyl-coenzyme A ChEBI Last Modified 05 February 2018