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BioLiP

PDB CCD ID: FE0
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O4
InChI: InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKey: KWAKQXVHPAXYRX-ZXXMMSQZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O
CACTVS 3.385OC[C@@H]1[C@H](O)C[C@H](O)[C@H]1O
CACTVS 3.385OC[CH]1[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C1O)O)CO)O
Name:(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
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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