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CHEBI:65052 - tetracosanoyl-CoA(4−)

ChEBI IDCHEBI:65052
ChEBI Nametetracosanoyl-CoA(4−)
Stars
ASCII Nametetracosanoyl-CoA(4-)
DefinitionA saturated fatty acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of tetracosanoyl-CoA. The major species at pH 7.3.
Last Modified27 July 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC45H78N7O17P3S
Net Charge-4
Average Mass1114.140
Monoisotopic Mass1113.44097
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/t34-,38-,39-,40+,44-/m1/s1
InChIKeyMOYMQYZWIUKGGY-JBKAVQFISA-J
ChEBI Ontology
Outgoing Relation(s)
tetracosanoyl-CoA(4−) (CHEBI:65052) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
tetracosanoyl-CoA(4−) (CHEBI:65052) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
tetracosanoyl-CoA(4−) (CHEBI:65052) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
tetracosanoyl-CoA(4−) (CHEBI:65052) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
tetracosanoyl-CoA(4−) (CHEBI:65052) is conjugate base of tetracosanoyl-CoA (CHEBI:52974)
Incoming Relation(s)
tetracosanoyl-CoA (CHEBI:52974) is conjugate acid of tetracosanoyl-CoA(4−) (CHEBI:65052)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(tetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate}
Synonyms  Source
tetracosanoyl-CoA (4-)ChEBI
C24:0-coenzyme A(4−)ChEBI
tetracosanoyl-coenzyme A(4−)ChEBI
lignoceroyl-CoA(4−)ChEBI
C24:0-CoA(4−)ChEBI
UniProt Name  Source
tetracosanoyl-CoAUniProt