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BioLiP Library

PDB CCD ID: B3D
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O4
InChI: InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKey: BBJIPMIXTXKYLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CC(N)CC(=O)O
OpenEye OEToolkits 1.7.6C(C(CC(=O)O)N)C(=O)O
CACTVS 3.370NC(CC(O)=O)CC(O)=O
Name:3-AMINOPENTANEDIOIC ACID;
BETA-HOMOASPARTATE
ZINC: ZINC000000895793
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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