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BioLiP

PDB CCD ID: 2IT
Number of entries in BioLiP: 5
Chemical formula: C5 H7 N O4
InChI: InChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3-
InChIKey: UZWLXPOZNAJCJV-UTCJRWHESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=N)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=N)C(=O)O
ACDLabs 12.01O=C(O)CCC(=[N@H])C(=O)O
OpenEye OEToolkits 1.7.6[H]/N=C(/CCC(=O)O)\C(=O)O
Name:(2Z)-2-iminopentanedioic 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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