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BioLiP Library

PDB CCD ID: 9YT
Number of entries in BioLiP: 4
Chemical formula: C6 H12 N2 O3
InChI: InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey: YLZRFVZUZIJABA-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)NCCC(C(=O)O)N
CACTVS 3.385CC(=O)NCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6CC(=O)NCC[C@@H](C(=O)O)N
CACTVS 3.385CC(=O)NCC[C@H](N)C(O)=O
Name:(2~{S})-4-acetamido-2-azanyl-butanoic acid
ZINC: ZINC000001530424
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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