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BioLiP

PDB CCD ID: SZR
Number of entries in BioLiP: 0
Chemical formula: C5 H7 N O3
InChI: InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1
InChIKey: UKXWUSDTTHLVST-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)O)C#N
ACDLabs 12.01O=C(O)C(O)CCC#N
CACTVS 3.385O[CH](CCC#N)C(O)=O
CACTVS 3.385O[C@H](CCC#N)C(O)=O
OpenEye OEToolkits 2.0.7C(C[C@H](C(=O)O)O)C#N
Name:(2R)-4-cyano-2-hydroxybutanoic 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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