CHEBI:76426 - 3-oxooctanedioyl-CoA

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ChEBI Name 3-oxooctanedioyl-CoA ChEBI ID CHEBI:76426 Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-oxooctanedioic 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 C29H46N7O20P3S Net Charge 0 Average Mass 937.69700 Monoisotopic Mass 937.17312 InChI InChI=1S/C29H46N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h14-15,17,22-24,28,42-43H,3-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/t17-,22-,23-,24+,28-/m1/s1 InChIKey YBYNWPGFFKQFTA-NOQDIWQESA-N SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCC(O)=O 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-oxooctanedioyl-CoA (CHEBI:76426) is a acyl-CoA (CHEBI:17984) 3-oxooctanedioyl-CoA (CHEBI:76426) is conjugate acid of 3-oxooctanedioyl-CoA(5−) (CHEBI:76335) Incoming 3-oxooctanedioyl-CoA(5−) (CHEBI:76335) is conjugate base of 3-oxooctanedioyl-CoA (CHEBI:76426) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[7-carboxy-3-oxoheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3-ketooctanedioyl-CoA ChEBI 3-ketooctanedioyl-coenzyme A ChEBI 3-ketosuberyl-CoA ChEBI 3-ketosuberyl-coenzyme A ChEBI 3-oxooctanedioyl-coenzyme A ChEBI 3-oxosuberyl-CoA ChEBI 3-oxosuberyl-coenzyme A ChEBI Last Modified 26 November 2013