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BioLiP

PDB CCD ID: LSR
Number of entries in BioLiP: 6
Chemical formula: C15 H24
InChI: InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChIKey: KUEVAPFABUUVHS-AYCKBHPDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
CACTVS 3.341C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
CACTVS 3.341CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0CC=C(C)C=CC1=C(CCCC1(C)C)C
ACDLabs 10.04C(/C1=C(CCCC1(C)C)C)=C\C(=C\C)C
Name:1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
DrugBank: DB08127
ZINC: ZINC000058639152
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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