CHEBI:64900 - [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA

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ChEBI Name [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA ChEBI ID CHEBI:64900 ChEBI ASCII Name [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:64903 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 C31H48N7O18P3S Net Charge 0 Average Mass 931.73500 Monoisotopic Mass 931.19894 InChI InChI=1S/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17-,19+,23+,24+,25-,29+/m0/s1 InChIKey QRPFCCJPSQOMPY-WNZSEHGDSA-N SMILES CC1=CC(=O)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)C1(C)C 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 [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA (CHEBI:64900) has functional parent [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid (CHEBI:64817) [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA (CHEBI:64900) is a acyl-CoA (CHEBI:17984) [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA (CHEBI:64900) is conjugate acid of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4−) (CHEBI:64784) Incoming [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4−) (CHEBI:64784) is conjugate base of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA (CHEBI:64900) Synonyms Sources 2-oxo-Δ3-4,5,5-trimethylcyclopentenylacetyl-coenzyme A ChEBI [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetyl-coenzyme A ChEBI Citations Types Sources 22267661 PubMed citation Europe PMC 6848481 PubMed citation Europe PMC Last Modified 15 June 2012