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BioLiP

PDB CCD ID: UAA
Number of entries in BioLiP: 4
Chemical formula: C6 H6 N2 O4
InChI: InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)
InChIKey: NQAUNZZEYKWTHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1NC(=CC(=O)N1)CC(=O)O
CACTVS 3.341OC(=O)CC1=CC(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C1=C(NC(=O)NC1=O)CC(=O)O
Name:URACIL-6-ACETIC ACID;
6-CARBOXYMETHYLURACIL
ChEMBL: CHEMBL593503
DrugBank: DB03048
ZINC: ZINC000000403617
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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