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BioLiP Library

PDB CCD ID: 57O
Number of entries in BioLiP: 8
Chemical formula: C9 H11 N O4
InChI: InChI=1S/C9H11NO4/c1-4-6(3-7(11)12)10-9(14)5(2)8(4)13/h3H2,1-2H3,(H,11,12)(H2,10,13,14)
InChIKey: AVBVBQSPVBVXPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1c(O)nc(CC(O)=O)c(C)c1O
ACDLabs 12.01Cc1c(O)nc(c(C)c1O)CC(O)=O
OpenEye OEToolkits 1.9.2Cc1c(nc(c(c1O)C)O)CC(=O)O
Name:(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid
ZINC: ZINC000584905103
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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