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BioLiP

PDB CCD ID: A1H0D
Number of entries in BioLiP: 6
Chemical formula: C14 H8 N2 O10
InChI: InChI=1S/C14H8N2O10/c17-10(18)3-1-5(12(21)22)16-9(14(25)26)7(3)8-4(11(19)20)2-6(15-8)13(23)24/h1-2,15H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey: OMWMZNBYJDZPNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(c([nH]c1C(=O)O)c2c(cc(nc2C(=O)O)C(=O)O)C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1[nH]c(c(c1)C(O)=O)c2c(cc(nc2C(O)=O)C(O)=O)C(O)=O
Name:3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid;
PYRROLOQUINOLINE QUINONE [CHARGED]
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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