CHEBI:62548 - 3-oxodecanoyl-CoA(4−)

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ChEBI Name 3-oxodecanoyl-CoA(4−)
ChEBI ID CHEBI:62548
ChEBI ASCII Name 3-oxodecanoyl-CoA(4-)
Definition Tetraanion of 3-oxodecanoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C31H48N7O18P3S
Net Charge -4
Average Mass 931.73500
Monoisotopic Mass 931.199
InChI InChI=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
InChIKey AZCVXMAPLHSIKY-HSJNEKGZSA-J
SMILES CCCCCCCC(=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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 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}
Synonym Source
3-oxodecanoyl-CoA UniProt
Database Link Database
CPD0-2123 MetaCyc
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Last Modified
02 August 2011