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CHEBI:62548 - 3-oxodecanoyl-CoA(4−)

ChEBI IDCHEBI:62548
ChEBI Name3-oxodecanoyl-CoA(4−)
Stars
ASCII Name3-oxodecanoyl-CoA(4-)
DefinitionTetraanion of 3-oxodecanoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.
Last Modified2 August 2011
SubmitterEugeni Belda
DownloadsMolfile
FormulaC31H48N7O18P3S
Net Charge-4
Average Mass931.745
Monoisotopic Mass931.20113
SMILESCCCCCCCC(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKeyAZCVXMAPLHSIKY-HSJNEKGZSA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxodecanoyl-CoA(4−) (CHEBI:62548) is a acyl-CoA oxoanion (CHEBI:58946)
3-oxodecanoyl-CoA(4−) (CHEBI:62548) is conjugate base of 3-oxodecanoyl-CoA (CHEBI:28528)
Incoming Relation(s)
3-oxodecanoyl-CoA (CHEBI:28528) is conjugate acid of 3-oxodecanoyl-CoA(4−) (CHEBI:62548)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
UniProt Name  Source
3-oxodecanoyl-CoAUniProt
Manual XrefsDatabases
CPD0-2123MetaCyc