CHEBI:75064 - trans-2-docosenoyl-CoA

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ChEBI Name trans-2-docosenoyl-CoA ChEBI ID CHEBI:75064 ChEBI ASCII Name trans-2-docosenoyl-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-docosenoic 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 C43H76N7O17P3S Net Charge 0 Average Mass 1088.08700 Monoisotopic Mass 1087.42313 InChI InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b23-22+/t32-,36-,37-,38+,42-/m1/s1 InChIKey KRTIFNFQCJTGMV-DYAVHEMFSA-N SMILES CCCCCCCCCCCCCCCCCCC\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-docosenoyl-CoA (CHEBI:75064) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) trans-2-docosenoyl-CoA (CHEBI:75064) is a trans-2-enoyl-CoA (CHEBI:50998) trans-2-docosenoyl-CoA (CHEBI:75064) is a long-chain fatty acyl-CoA (CHEBI:33184) trans-2-docosenoyl-CoA (CHEBI:75064) is a monounsaturated fatty acyl-CoA (CHEBI:139575) trans-2-docosenoyl-CoA (CHEBI:75064) is conjugate acid of trans-2-docosenoyl-CoA(4−) (CHEBI:74692) Incoming trans-2-docosenoyl-CoA(4−) (CHEBI:74692) is conjugate base of trans-2-docosenoyl-CoA (CHEBI:75064) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-docos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (E)-2-docosenoyl-CoA ChEBI (E)-2-docosenoyl-coenzyme A ChEBI trans-2-docosenoyl-coenzyme A ChEBI Manual Xref Database CPD-14281 MetaCyc View more database links Last Modified 05 February 2018