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BioLiP

PDB CCD ID: A1AVU
Number of entries in BioLiP: 0
Chemical formula: C5 H10 F N O2
InChI: InChI=1S/C5H10FNO2/c1-3(2-6)4(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)/t3-,4+/m1/s1
InChIKey: ZNUPMBDTGNNZMF-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(CF)C(N)C(=O)O
OpenEye OEToolkits 2.0.7CC(CF)C(C(=O)O)N
OpenEye OEToolkits 2.0.7C[C@H](CF)[C@@H](C(=O)O)N
CACTVS 3.385C[CH](CF)[CH](N)C(O)=O
CACTVS 3.385C[C@H](CF)[C@H](N)C(O)=O
Name:(3S)-4-fluoro-L-valine
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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