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BioLiP

PDB CCD ID: DEM
Number of entries in BioLiP: 1
Chemical formula: C11 H24 O2
InChI: InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h12H,2-11H2,1H3
InChIKey: CDMVCFBAVCCGIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCOCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCOCO
Name:DECYLOXY-METHANOL
DrugBank: DB04082
ZINC: ZINC000014881035
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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