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BioLiP

PDB CCD ID: NOP
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N O7 P
InChI: InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)
InChIKey: BBWRYPTUKZTWFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O
ACDLabs 10.04[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
CACTVS 3.341Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]
Name:PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
DrugBank: DB03629
ZINC: ZINC000033367564
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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