Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

PCA

Summary
Name:PYROGLUTAMIC ACID
Formula:C5 H7 N O3
Formal charge:0
Formula weight:129.114 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-oxo-L-proline
OpenEye OEToolkits1.5.0(2S)-5-oxopyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1NC(=O)CC1
SMILES_CANONICALCACTVS3.341OC(=O)[C@@H]1CCC(=O)N1
SMILESCACTVS3.341OC(=O)[CH]1CCC(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0C1CC(=O)N[C@@H]1C(=O)O
SMILESOpenEye OEToolkits1.5.0C1CC(=O)NC1C(=O)O
InChIInChI1.03InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyInChI1.03ODHCTXKNWHHXJC-VKHMYHEASA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon