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BioLiP

PDB CCD ID: 3QN
Number of entries in BioLiP: 0
Chemical formula: C15 H23 N2 O7 P
InChI: InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1
InChIKey: PWEHKEQDPFXDSM-TVYFDWKESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1ccc(c(c1O)C=NCCCCC(C(=O)O)N)COP(=O)(O)O
CACTVS 3.370Cc1ccc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O)=O)c1O
CACTVS 3.370Cc1ccc(CO[P](O)(O)=O)c(C=NCCCC[C@H](N)C(O)=O)c1O
ACDLabs 12.01O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O
OpenEye OEToolkits 1.7.0Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O
Name:(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine
ZINC: ZINC000066166247
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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