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BioLiP

PDB CCD ID: EMM
Number of entries in BioLiP: 1
Chemical formula: C4 H7 N O2
InChI: InChI=1S/C4H7NO2/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7)
InChIKey: RIKKDQCPYLBOND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C=C)C(O)=O
ACDLabs 10.04O=C(O)N(\C=C)C
OpenEye OEToolkits 1.5.0CN(C=C)C(=O)O
Name:[METHYL(VINYL)AMINO]METHANOL;
N,N-ETHYLMETHYLCARBAMATE
ZINC: ZINC000004633182

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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