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BioLiP

PDB CCD ID: DAM
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O2
InChI: InChI=1S/C4H7NO2/c1-3(5-2)4(6)7/h5H,1H2,2H3,(H,6,7)
InChIKey: FLEYLGCAQDCGHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CNC(=C)C(O)=O
ACDLabs 12.01O=C(O)C(=C)/NC
OpenEye OEToolkits 1.7.0CNC(=C)C(=O)O
Name:N-METHYL-ALPHA-BETA-DEHYDROALANINE
DrugBank: DB03920
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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