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BioLiP

PDB CCD ID: KP1
Number of entries in BioLiP: 1
Chemical formula: C7 H16 O2
InChI: InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3
InChIKey: DBTGFWMBFZBBEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)(O)CC(C)(C)O
OpenEye OEToolkits 1.7.6CC(C)(CC(C)(C)O)O
ACDLabs 12.01OC(C)(C)CC(O)(C)C
Name:2,4-dimethylpentane-2,4-diol
ZINC: ZINC000000388623
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)(download the PDF file).
  • 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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