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BioLiP

PDB CCD ID: D12
Number of entries in BioLiP: 1
Chemical formula: C12 H26
InChI: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04C(CCCCCCCC)CCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCC
Name:DODECANE
ChEMBL: CHEMBL30959
ZINC: ZINC000001531085
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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