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BioLiP

PDB CCD ID: RXL
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O2
InChI: InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
InChIKey: MNDXTFKURVNNSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=C(C(=O)O)N)C
CACTVS 3.385CC(C)=C(N)C(O)=O
Name:Dehydrovaline;
2-azanyl-3-methyl-but-2-enoic acid
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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