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BioLiP

PDB CCD ID: 6BW
Number of entries in BioLiP: 1
Chemical formula: C15 H24
InChI: InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
InChIKey: WEZDOYDDKIHCLM-RBSFLKMASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CCC=C(C)[C]12CC[CH](C2)C(C)=C
CACTVS 3.385C[C@@H]1CCC=C(C)[C@]12CC[C@H](C2)C(C)=C
OpenEye OEToolkits 2.0.4CC1CCC=C(C12CCC(C2)C(=C)C)C
OpenEye OEToolkits 2.0.4C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C
ACDLabs 12.01C1C=C(C)C2(C(C1)C)CC(\C(=C)C)CC2
Name:(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
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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