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BioLiP Library

PDB CCD ID: CRE
Number of entries in BioLiP: 1
Chemical formula: C15 H24
InChI: InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/t15-/m1/s1
InChIKey: XMRKUJJDDKYUHV-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CCCC(=CCC(CC1)C(=C)C)C
ACDLabs 10.04C1(=CCCC(=CCC(\C(=C)C)CC1)C)C
CACTVS 3.341CC(=C)[CH]1CCC(=CCCC(=CC1)C)C
CACTVS 3.341CC(=C)[C@@H]1CC\C(=C/CC\C(=C\C1)C)C
OpenEye OEToolkits 1.5.0CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C
Name:GERMACRENE A;
8-ISOPROPENYL-1,5-DIMETHYL-CYCLODECA-1,5-DIENE
ZINC: ZINC000263621225
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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