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BioLiP Library

PDB CCD ID: DHA
Number of entries in BioLiP: 5
Chemical formula: C3 H5 N O2
InChI: InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
InChIKey: UQBOJOOOTLPNST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=C)\N
CACTVS 3.341NC(=C)C(O)=O
OpenEye OEToolkits 1.5.0C=C(C(=O)O)N
Name:2-AMINO-ACRYLIC ACID;
2,3-DIDEHYDROALANINE
DrugBank: DB02688
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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