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BioLiP

PDB CCD ID: 0XC
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O2
InChI: InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h8H,1-4,7H2,(H,9,10)/b8-5+
InChIKey: ONJCPSHPCDMDIU-VMPITWQZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CCN)CC(=N)C(=O)O
ACDLabs 12.01O=C(O)C(=[N@H])CCCCN
OpenEye OEToolkits 1.7.6[H]/N=C(\CCCCN)/C(=O)O
CACTVS 3.370NCCCCC(=N)C(O)=O
Name:(2E)-6-amino-2-iminohexanoic 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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