CHEBI:37283 - heptanoyl-CoA

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ChEBI Name heptanoyl-CoA ChEBI ID CHEBI:37283 Definition A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptanoic 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 C28H48N7O17P3S Net Charge 0 Average Mass 879.70498 Monoisotopic Mass 879.20403 InChI InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1 InChIKey CHVYGJMBUXUTSX-SVHODSNWSA-N SMILES CCCCCCC(=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 heptanoyl-CoA (CHEBI:37283) has functional parent coenzyme A (CHEBI:15346) heptanoyl-CoA (CHEBI:37283) has functional parent heptanoic acid (CHEBI:45571) heptanoyl-CoA (CHEBI:37283) is a medium-chain fatty acyl-CoA (CHEBI:61907) heptanoyl-CoA (CHEBI:37283) is conjugate acid of heptanoyl-CoA(4−) (CHEBI:78811) Incoming (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) has functional parent heptanoyl-CoA (CHEBI:37283) (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) has functional parent heptanoyl-CoA (CHEBI:37283) heptanoyl-CoA(4−) (CHEBI:78811) is conjugate base of heptanoyl-CoA (CHEBI:37283) Synonyms Sources 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(heptanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) ChEBI C7:0-CoA ChEBI enanthyl-CoA ChEBI enanthyl-coenzyme A ChEBI heptanoyl-CoA ChEBI Manual Xref Database HMDB0012969 HMDB View more database links Registry Numbers Types Sources 9607758 Reaxys Registry Number Reaxys 9607758 Beilstein Registry Number Beilstein Citations Types Sources 16024185 PubMed citation Europe PMC 3818447 PubMed citation Europe PMC 7983681 PubMed citation Europe PMC 8355261 PubMed citation Europe PMC Last Modified 19 August 2011