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BioLiP Library

PDB CCD ID: AKB
Number of entries in BioLiP: 3
Chemical formula: C4 H7 N O3
InChI: InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey: SAUCHDKDCUROAO-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CC(=O)C(C(=O)O)N
CACTVS 3.341CC(=O)[C@H](N)C(O)=O
CACTVS 3.341CC(=O)[CH](N)C(O)=O
ACDLabs 10.04O=C(C)C(N)C(=O)O
Name:2-AMINO-3-KETOBUTYRIC ACID
DrugBank: DB03915
ZINC: ZINC000000901672
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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