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BioLiP

PDB CCD ID: JX7
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N3 O3
InChI: InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKey: ARBHXJXXVVHMET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NCCCC(=O)C(=O)O
CACTVS 3.385NC(=N)NCCCC(=O)C(O)=O
ACDLabs 12.01O=C(CCCNC(=N)\N)C(O)=O
OpenEye OEToolkits 2.0.6C(CC(=O)C(=O)O)CNC(=N)N
Name:5-carbamimidamido-2-oxopentanoic acid
ZINC: ZINC000001529743
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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