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BioLiP

PDB CCD ID: 1AX
Number of entries in BioLiP: 1
Chemical formula: C6 H14 O5
InChI: InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2/t5-,6-/m1/s1
InChIKey: GPLRAVKSCUXZTP-PHDIDXHHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@H](COC[C@@H](CO)O)O)O
CACTVS 3.370OC[CH](O)COC[CH](O)CO
CACTVS 3.370OC[C@@H](O)COC[C@H](O)CO
ACDLabs 12.01OCC(O)COCC(O)CO
OpenEye OEToolkits 1.7.6C(C(COCC(CO)O)O)O
Name:(2R,2'R)-3,3'-oxydipropane-1,2-diol
ZINC: ZINC000001648173
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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