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BioLiP Library

PDB CCD ID: 3MV
Number of entries in BioLiP: 1
Chemical formula: C11 H24
InChI: InChI=1S/C11H24/c1-6-10(5)8-11(7-2)9(3)4/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKey: DEZOXTLNRYCKNK-GHMZBOCLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(C)CC(CC)C(C)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC[C@@H](C)C[C@@H](CC)C(C)C
CACTVS 3.385CC[CH](C)C[CH](CC)C(C)C
ACDLabs 12.01CCC(CC(CC)C)C(C)C
Name:(3R,5R)-3-ethyl-2,5-dimethylheptane
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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