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BioLiP

PDB CCD ID: 3CR
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O3
InChI: InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8+
InChIKey: PNTMGOUAICFJQK-CSKARUKUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC(=NO)C(=O)O
OpenEye OEToolkits 1.7.6c1ccc(cc1)C/C(=N\O)/C(=O)O
CACTVS 3.385O/N=C(Cc1ccccc1)/C(O)=O
CACTVS 3.385ON=C(Cc1ccccc1)C(O)=O
ACDLabs 12.01O=C(O)\C(=N\O)Cc1ccccc1
Name:(2E)-2-(hydroxyimino)-3-phenylpropanoic acid
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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