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BioLiP

PDB CCD ID: 7UC
Number of entries in BioLiP: 8
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKey: VRGLRLBEHJTRMK-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(CC(=O)O)NCC(=O)O
CACTVS 3.385C[C@H](CC(O)=O)NCC(O)=O
CACTVS 3.385C[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.6C[C@H](CC(=O)O)NCC(=O)O
Name:(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
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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