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BioLiP

PDB CCD ID: 3EG
Number of entries in BioLiP: 0
Chemical formula: C4 H6 F3 N O2
InChI: InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1
InChIKey: AQPCXCOPDSEKQT-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](CC(F)(F)F)C(O)=O
ACDLabs 12.01FC(F)(F)CC(N)C(=O)O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(F)(F)F
CACTVS 3.370N[C@@H](CC(F)(F)F)C(O)=O
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(F)(F)F
Name:(2S)-2-amino-4,4,4-trifluorobutanoic acid
ZINC: ZINC000001607502
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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