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BioLiP

PDB CCD ID: 5HP
Number of entries in BioLiP: 0
Chemical formula: C5 H7 N O3
InChI: InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/f/h6,8H
InChIKey: ODHCTXKNWHHXJC-NEWVVPMODF
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(=O)N[C@@H]1C(=O)O
CACTVS 3.341OC(=O)[CH]1CCC(=O)N1
ACDLabs 10.04O=C(O)C1NC(=O)CC1
CACTVS 3.341OC(=O)[C@@H]1CCC(=O)N1
OpenEye OEToolkits 1.5.0C1CC(=O)NC1C(=O)O
Name:PYROGLUTAMIC ACID
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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