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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxotetracosanoyl-CoA(4−)
ChEBI ID CHEBI:73977
ChEBI ASCII Name 3-oxotetracosanoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-oxotetracosanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C45H76N7O18P3S
Net Charge -4
Average Mass 1128.10700
Monoisotopic Mass 1127.42024
InChI InChI=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
InChIKey JJSJTIWFKNSCHC-JBKAVQFISA-J
SMILES CCCCCCCCCCCCCCCCCCCCCC(=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-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 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 Sources
3-keto-C24-CoA(4−) SUBMITTER
3-ketolignoceroyl-CoA(4−) SUBMITTER
3-ketolignoceroyl-coenzyme A(4−) SUBMITTER
3-ketotetracosanoyl-CoA(4−) SUBMITTER
3-ketotetracosanoyl-coenzyme A(4−) SUBMITTER
3-oxo-C24-CoA(4−) SUBMITTER
3-oxolignoceroyl-CoA(4−) SUBMITTER
3-oxolignoceroyl-coenzyme A(4−) SUBMITTER
3-oxotetracosanoyl-CoA UniProt
3-oxotetracosanoyl-coenzyme A(4−) SUBMITTER
Last Modified
31 March 2015