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BioLiP

PDB CCD ID: NAK
Number of entries in BioLiP: 4
Chemical formula: C3 H5 N O2
InChI: InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)
InChIKey: DUAWRLXHCUAWMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=[NH2+])C(=O)[O-]
CACTVS 3.341CC(=[NH2+])C([O-])=O
ACDLabs 10.04[O-]C(=O)\C(=[NH2+])C
Name:AMINO-ACRYLATE;
2-IMINIOPROPANOATE
DrugBank: DB04212
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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