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BioLiP

PDB CCD ID: GZJ
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3
InChI: InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKey: WZVZUKROCHDMDT-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](NC(C)=O)C(O)=O
ACDLabs 12.01CC(NC(C(=O)O)CC)=O
OpenEye OEToolkits 2.0.6CC[C@@H](C(=O)O)NC(=O)C
CACTVS 3.385CC[C@H](NC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.6CCC(C(=O)O)NC(=O)C
Name:(2S)-2-(acetylamino)butanoic acid
ZINC: ZINC000004760975
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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