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BioLiP

PDB CCD ID: 1JW
Number of entries in BioLiP: 6
Chemical formula: C6 H14 O3
InChI: InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
InChIKey: ZWVMLYRJXORSEP-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCCC[CH](O)CO
OpenEye OEToolkits 2.0.7C(CCO)C[C@@H](CO)O
CACTVS 3.385OCCCC[C@H](O)CO
OpenEye OEToolkits 2.0.7C(CCO)CC(CO)O
Name:(2S)-hexane-1,2,6-triol;
(-)-1,2,6-Hexanetriol;
6999990
ZINC: ZINC000002041111
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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