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BioLiP

PDB CCD ID: 8BD
Number of entries in BioLiP: 2
Chemical formula: C11 H13 N O4
InChI: InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-
InChIKey: HNYXMVDBRIIJGT-WQLSENKSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccccc1C=NOCCC(O)=O
OpenEye OEToolkits 1.5.0COc1ccccc1C=NOCCC(=O)O
OpenEye OEToolkits 1.5.0COc1ccccc1\C=N/OCCC(=O)O
ACDLabs 10.04O=C(O)CCO\N=C/c1ccccc1OC
CACTVS 3.341COc1ccccc1\C=N/OCCC(O)=O
Name:3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid;
(E)-3-(2-methoxybenzylideneaminooxy)propanoic acid
DrugBank: DB07282
ZINC: ZINC000064426426
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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