CHEBI:37439 - 3-isopropenylpimeloyl-CoA

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ChEBI Name 3-isopropenylpimeloyl-CoA ChEBI ID CHEBI:37439 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-isopropenylpimelic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:29481, CHEBI:20091 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C31H50N7O19P3S C31H50N7O19P3S Net Charge 0 Average Mass 949.75000 Monoisotopic Mass 949.20950 InChI InChI=1S/C31H50N7O19P3S/c1-17(2)18(6-5-7-21(40)41)12-22(42)61-11-10-33-20(39)8-9-34-29(45)26(44)31(3,4)14-54-60(51,52)57-59(49,50)53-13-19-25(56-58(46,47)48)24(43)30(55-19)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,18-19,24-26,30,43-44H,1,5-14H2,2-4H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,19-,24-,25-,26+,30-/m1/s1 InChIKey IUBHAICAISWSAN-IHEBCORQSA-N SMILES CC(=C)C(CCCC(O)=O)CC(=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 3-isopropenylpimeloyl-CoA (CHEBI:37439) has functional parent coenzyme A (CHEBI:15346) 3-isopropenylpimeloyl-CoA (CHEBI:37439) is a acyl-CoA (CHEBI:17984) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources 3-isopropenylpimeloyl-coenzyme A ChEBI 3-Isopropenylpimelyl-CoA UM-BBD 3-Isopropenylpimelyl-CoA KEGG COMPOUND 3-Isopropenylpimelyl-coenzyme A ChEBI Manual Xrefs Databases c0686 UM-BBD C11936 KEGG COMPOUND View more database links Last Modified 28 July 2014