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BioLiP Library

PDB CCD ID: D6O
Number of entries in BioLiP: 2
Chemical formula: C5 H5 N O4
InChI: InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
InChIKey: HSKSAKBZUITULZ-UPHRSURJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)\C=C/C(=O)NC=O
OpenEye OEToolkits 2.0.7C(=CC(=O)O)C(=O)NC=O
OpenEye OEToolkits 2.0.7C(=C\C(=O)O)\C(=O)NC=O
CACTVS 3.385OC(=O)C=CC(=O)NC=O
Name:(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid
ZINC: ZINC000100084064
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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