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BioLiP

PDB CCD ID: 03W
Number of entries in BioLiP: 1
Chemical formula: C3 H8 O4
InChI: InChI=1S/C3H8O4/c4-1-2(5)3(6)7/h2-7H,1H2/t2-/m1/s1
InChIKey: MQVRLONNONYDJP-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(C(C(O)O)O)O
CACTVS 3.370OC[C@@H](O)C(O)O
ACDLabs 12.01OCC(O)C(O)O
OpenEye OEToolkits 1.7.2C([C@H](C(O)O)O)O
CACTVS 3.370OC[CH](O)C(O)O
Name:(2R)-propane-1,1,2,3-tetrol
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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