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BioLiP

PDB CCD ID: EGV
Number of entries in BioLiP: 8
Chemical formula: C6 H11 N3 O4
InChI: InChI=1S/C6H11N3O4/c7-6(8)9-2-3(10)1-4(11)5(12)13/h3,10H,1-2H2,(H,12,13)(H4,7,8,9)/t3-/m0/s1
InChIKey: RPBOKETVUMOUHD-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C(CNC(=N)N)O)C(=O)C(=O)O
CACTVS 3.385NC(=N)NC[CH](O)CC(=O)C(O)=O
CACTVS 3.385NC(=N)NC[C@@H](O)CC(=O)C(O)=O
ACDLabs 12.01C(O)(C(CC(CNC(=N)\N)O)=O)=O
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O
Name:(4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic 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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