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BioLiP

PDB CCD ID: 1AL
Number of entries in BioLiP: 22
Chemical formula: C4 H7 N4 O4
InChI: InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1
InChIKey: NUCLJNSWZCHRKL-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NC(C([O-])=O)NC(=O)N)N
OpenEye OEToolkits 1.5.0C(C(=O)[O-])(NC(=O)N)NC(=O)N
CACTVS 3.341NC(=O)NC(NC(N)=O)C([O-])=O
Name:ALLANTOATE ION;
DIUREIDO-ACETATE
DrugBank: DB04380
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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