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DBS

Summary
Name:2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID
Synonyms:2,3,-DIHYDROXYBENZOYLSERINE
Formula:C10 H11 N O6
Formal charge:0
Formula weight:241.197 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
OpenEye OEToolkits1.5.0(2S)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)c1cccc(O)c1O)CO
SMILES_CANONICALCACTVS3.341OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O
SMILESCACTVS3.341OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O
InChIInChI1.03InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1
InChIKeyInChI1.03VDTYHTVHFIIEIL-LURJTMIESA-N

217157

PDB entries from 2024-03-13

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