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BioLiP

PDB CCD ID: PUN
Number of entries in BioLiP: 1
Chemical formula: C16 H34
InChI: InChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3
InChIKey: RDUBCTHNBWFPTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C
ACDLabs 12.01CC(CC(CC(CC(C)C)(C)C)(C)C)(C)C
Name:2,2,4,4,6,6,8-heptamethylnonane
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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