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BioLiP

PDB CCD ID: KPI
Number of entries in BioLiP: 0
Chemical formula: C9 H16 N2 O4
InChI: InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1
InChIKey: JXBWDTJQFXOTMZ-KEXZDQNZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=NCCCC[CH](N)C(O)=O)C(O)=O
CACTVS 3.385CC(=NCCCC[C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O
OpenEye OEToolkits 1.7.6CC(=NCCCCC(C(=O)O)N)C(=O)O
ACDLabs 12.01OC(C(N)CCCC\N=C(/C)C(O)=O)=O
Name:(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
ZINC: ZINC000058650743
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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