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BioLiP

PDB CCD ID: 7J3
Number of entries in BioLiP: 0
Chemical formula: C9 H16 N2 O3
InChI: InChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1
InChIKey: DFQJEDOASBZINA-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CC(=O)N1CCCCC1)(N)C(=O)O
OpenEye OEToolkits 2.0.6C1CCN(CC1)C(=O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](CC(=O)N1CCCCC1)C(O)=O
CACTVS 3.385N[CH](CC(=O)N1CCCCC1)C(O)=O
OpenEye OEToolkits 2.0.6C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N
Name:(2S)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid
ZINC: ZINC000118401473
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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