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BioLiP

PDB CCD ID: PDP
Number of entries in BioLiP: 8
Chemical formula: C8 H11 N O9 P2
InChI: InChI=1S/C8H11NO9P2/c1-5-8(11)7(3-10)6(2-9-5)4-17-20(15,16)18-19(12,13)14/h2-3,11H,4H2,1H3,(H,15,16)(H2,12,13,14)
InChIKey: BLPOUZDLIYAHLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)OP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C
CACTVS 3.341Cc1ncc(CO[P](O)(=O)O[P](O)(O)=O)c(C=O)c1O
CACTVS 3.341Cc1ncc(CO[P@@](O)(=O)O[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O
Name:PYRIDOXAL-5'-DIPHOSPHATE
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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