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BioLiP

PDB CCD ID: A3B
Number of entries in BioLiP: 3
Chemical formula: C4 H7 N O2
InChI: InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1
InChIKey: RQVLGLPAZTUBKX-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CC(C(=O)[O-])[NH3+]
ACDLabs 10.04[O-]C(=O)C(\C=C)[NH3+]
CACTVS 3.341[NH3+][C@H](C=C)C([O-])=O
OpenEye OEToolkits 1.5.0C=C[C@H](C(=O)[O-])[NH3+]
CACTVS 3.341[NH3+][CH](C=C)C([O-])=O
Name:D-VINYLGLYCINE;
2-AMMONIOBUT-3-ENOATE;
2-AMINO-3-BUTENOATE
DrugBank: DB01804
ZINC: ZINC000002516281
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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