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BioLiP

PDB CCD ID: 3VB
Number of entries in BioLiP: 4
Chemical formula: C4 H10 O4
InChI: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKey: UNXHWFMMPAWVPI-QWWZWVQMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH](O)CO
CACTVS 3.385OC[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.7.6C(C(C(CO)O)O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H](CO)O)O)O
ACDLabs 12.01OCC(O)C(O)CO
Name:D-Threitol
ZINC: ZINC000000895269
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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