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BioLiP

PDB CCD ID: VEC
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O4
InChI: InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3
InChIKey: SIYGHEABEISEBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1cc(O)ccc1)N(C)CC(=O)OC
CACTVS 3.385COC(=O)CN(C)C(=O)c1cccc(O)c1
OpenEye OEToolkits 2.0.7CN(CC(=O)OC)C(=O)c1cccc(c1)O
Name:methyl N-(3-hydroxybenzoyl)-N-methylglycinate
ZINC: ZINC000019967250
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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