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BioLiP Library

PDB CCD ID: OTD
Number of entries in BioLiP: 2
Chemical formula: C6 H6 N2 O5
InChI: InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1
InChIKey: WVCOMWPLPGATRR-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(NC(=O)NC1C(=O)O)C(=O)O
CACTVS 3.341OC(=O)[CH]1NC(=O)NC(=C1)C(O)=O
CACTVS 3.341OC(=O)[C@@H]1NC(=O)NC(=C1)C(O)=O
OpenEye OEToolkits 1.5.0C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)C1C=C(C(=O)O)NC(=O)N1
Name:2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID;
HDDP
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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