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BioLiP

PDB CCD ID: E8N
Number of entries in BioLiP: 15
Chemical formula: C9 H18
InChI: InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3
InChIKey: YPJRYQGOKHKNKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC1(C)CCCCC1
OpenEye OEToolkits 2.0.6CCC1(CCCCC1)C
Name:1-ethyl-1-methyl-cyclohexane
ZINC: ZINC000001699426
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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