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2-fluorobenzoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM14240Image of MNXM14240
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H39FN7O17P3S
charge0
mass889.132
referencechebi:27490
InChIKeyJJZDBMQDENLSBH-TYHXJLICSA-N
InChIInChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
SMILESCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1F
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:27490
chebi:27490 		2-fluorobenzoyl-CoA
2-Fluorobenzoyl-CoA
2-fluorobenzoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-fluorobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
seed.compound:cpd01797
seedM:cpd01797
kegg.compound:C02784
keggC:C02784 		2-Fluorobenzoyl-CoA
chebi:1097
chebi:19578
keggC:M_C02784
seedM:M_cpd01797 		secondary/obsolete/fantasy identifier