CHEBI:63766 - O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol
ChEBI ID CHEBI:63766
ChEBI ASCII Name O(3)-(2-L-lysino-2-oxoethyl)-O(1)-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol
Definition A carboxylic ester derivative of chloroamphenicol incorporating an L-lysino group linked via a 2-oxoethyl group to the oxygen at C-3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H32Cl2F3N5O10
Net Charge 0
Average Mass 738.500
Monoisotopic Mass 737.14783
InChI InChI=1S/C29H32Cl2F3N5O10/c30-25(31)26(42)38-21(14-48-15-22(40)37-20(27(43)44)3-1-2-12-35)24(17-6-10-19(11-7-17)39(46)47)49-23(41)13-16-4-8-18(9-5-16)36-28(45)29(32,33)34/h4-11,20-21,24-25H,1-3,12-15,35H2,(H,36,45)(H,37,40)(H,38,42)(H,43,44)/t20-,21+,24+/m0/s1
InChIKey PNSGTNUZQZZKNS-YZUZCNPQSA-N
SMILES C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)COCC(N[C@@H](CCCCN)C(=O)O)=O)OC(CC2=CC=C(C=C2)NC(C(F)(F)F)=O)=O)C=CC(=C1)[N+]([O-])=O
ChEBI Ontology
Outgoing O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) has functional parent chloramphenicol (CHEBI:17698)
O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) has part N2-L-lysino group (CHEBI:32554)
O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) is a C-nitro compound (CHEBI:35716)
O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) is a carboxylic ester (CHEBI:33308)
O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) is a organochlorine compound (CHEBI:36683)
O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) is a secondary carboxamide (CHEBI:140325)
O3-(2-L-lysino-2-oxoethyl)-O1-[4-(trifluoroacetamido)benzylcarbonyl]chloramphenicol (CHEBI:63766) is a trifluoroacetamide (CHEBI:145723)
IUPAC Name
N2-({[(2R,3R)-2-[(dichloroacetyl)amino]-3-(4-nitrophenyl)-3-(2-{4-[(trifluoroacetyl)amino]phenyl}acetoxy)propyl]oxy}acetyl)-L-lysine
Synonym Source
Sub-Lys ChEBI
Citation Waiting for Citations Type Source
17428500 PubMed citation Europe PMC
Last Modified
20 December 2019