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BioLiP

PDB CCD ID: LTH
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O5
InChI: InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1
InChIKey: JPIJQSOTBSSVTP-STHAYSLISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH](O)C(O)=O
ACDLabs 12.01O=C(O)C(O)C(O)CO
CACTVS 3.385OC[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.9.2C(C(C(C(=O)O)O)O)O
OpenEye OEToolkits 1.9.2C([C@@H]([C@H](C(=O)O)O)O)O
Name:(2R,3S)-2,3,4-trihydroxybutanoic acid;
L-Threonic acid
ChEMBL: CHEMBL2152047
DrugBank: DB11192
ZINC: ZINC000000901061
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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