BioLiP

PDB

BioLiP

PDB CCD ID:

650

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	C(=[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 3.385	C/C=C(C)/CCC=C(C)C
OpenEye OEToolkits 2.0.4	C/C=C(\C)/CCC=C(C)C

Name:

Beta-Myrcene

ZINC:

ZINC000001569111

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).