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CHEBI:64784 - [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4−)

ChEBI IDCHEBI:64784
ChEBI Name[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4−)
Stars
ASCII Name[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4-)
DefinitionThe acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA. Major species at pH 7.3.
Secondary ChEBI IDCHEBI:64895
Last Modified15 June 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H44N7O18P3S
Net Charge-4
Average Mass927.713
Monoisotopic Mass927.16983
SMILESCC1=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](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])C1(C)C
InChIInChI=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)/p-4/t17-,19+,23+,24+,25-,29+/m0/s1
InChIKeyQRPFCCJPSQOMPY-WNZSEHGDSA-J
ChEBI Ontology
Outgoing Relation(s)
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4−) (CHEBI:64784) is a acyl-CoA(4−) (CHEBI:58342)
[(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)
Incoming Relation(s)
[(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)
Synonyms  Source
2-oxo-Δ3-4,5,5-trimethylcyclopentenylacetyl-CoASUBMITTER
[(R)-2,2,3-trimethyl-2-oxocyclopent-3-en-1-yl]acetyl-coenzyme A(4−)ChEBI
2-oxo-Δ3-4,5,5-trimethylcyclopentenylacetyl-coenzyme AChEBI
UniProt Name  Source
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoAUniProt
Manual XrefsDatabases
CPD-867MetaCyc
Citations