SEQ2FUN

BioLiP

PDB CCD ID: BIB
Number of entries in BioLiP: 8
Chemical formula: C4 H8 N O2
InChI: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1
InChIKey: QCHPKSFMDHPSNR-VKHMYHEASA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CN)C(=O)[O-]
CACTVS 3.341C[C@@H](CN)C([O-])=O
OpenEye OEToolkits 1.5.0C[C@@H](CN)C(=O)[O-]
ACDLabs 10.04[O-]C(=O)C(C)CN
CACTVS 3.341C[CH](CN)C([O-])=O
Name:BETA-AMINO ISOBUTYRATE
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).