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BioLiP

PDB CCD ID: 650
Number of entries in BioLiP: 4
Chemical formula: C10 H18
InChI: InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/b10-5+
InChIKey: MZPDTOMKQCMETI-BJMVGYQFSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(=[C@H]CCC(=[C@H]C)C)(C)C
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CC=C(C)CCC=C(C)C
CACTVS 3.385C/C=C(C)/CCC=C(C)C
OpenEye OEToolkits 2.0.4C/C=C(\C)/CCC=C(C)C
Name:Beta-Myrcene
ZINC: ZINC000001569111
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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