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BioLiP

PDB CCD ID: DKL
Number of entries in BioLiP: 6
Chemical formula: C7 H16 O2
InChI: InChI=1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
InChIKey: MHIBEGOZTWERHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCC(O)O
Name:heptane-1,1-diol
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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