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CHEBI:73977 - 3-oxotetracosanoyl-CoA(4−)

ChEBI IDCHEBI:73977
ChEBI Name3-oxotetracosanoyl-CoA(4−)
Stars
ASCII Name3-oxotetracosanoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-oxotetracosanoyl-CoA.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC45H76N7O18P3S
Net Charge-4
Average Mass1128.123
Monoisotopic Mass1127.42023
SMILESCCCCCCCCCCCCCCCCCCCCCC(=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/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-32,34,38-40,44,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t34-,38-,39-,40+,44-/m1/s1
InChIKeyJJSJTIWFKNSCHC-JBKAVQFISA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxotetracosanoyl-CoA(4−) (CHEBI:73977) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxotetracosanoyl-CoA(4−) (CHEBI:73977) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
3-oxotetracosanoyl-CoA(4−) (CHEBI:73977) is conjugate base of 3-oxotetracosanoyl-CoA (CHEBI:52329)
Incoming Relation(s)
3-oxotetracosanoyl-CoA (CHEBI:52329) is conjugate acid of 3-oxotetracosanoyl-CoA(4−) (CHEBI:73977)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxotetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate}
Synonyms  Source
3-oxotetracosanoyl-coenzyme A(4−)SUBMITTER
3-ketotetracosanoyl-CoA(4−)SUBMITTER
3-ketotetracosanoyl-coenzyme A(4−)SUBMITTER
3-oxolignoceroyl-CoA(4−)SUBMITTER
3-oxolignoceroyl-coenzyme A(4−)SUBMITTER
3-ketolignoceroyl-CoA(4−)SUBMITTER
UniProt Name  Source
3-oxotetracosanoyl-CoAUniProt