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BioLiP Library

PDB CCD ID: 5VV
Number of entries in BioLiP: 0
Chemical formula: C5 H8 N2 O5
InChI: InChI=1S/C5H8N2O5/c6-3(8)1-2(4(9)10)7-5(11)12/h2,7H,1H2,(H2,6,8)(H,9,10)(H,11,12)/t2-/m0/s1
InChIKey: ZDDDMWAFNPCPER-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C(C(=O)O)NC(=O)O)C(=O)N
CACTVS 3.385NC(=O)C[CH](NC(O)=O)C(O)=O
CACTVS 3.385NC(=O)C[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C([C@@H](C(=O)O)NC(=O)O)C(=O)N
Name:N-carbamoyl-L-Asparagine
ZINC: ZINC000584905149
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)(download the PDF file).
  • 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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