650

Beta-Myrcene

Created:	2016-01-26
Last modified:	2016-04-27

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1 entries where 650 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	0

2D diagram of 650

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Chemical Component Summary
Name	Beta-Myrcene
Systematic Name (OpenEye OEToolkits)	(6~{E})-2,6-dimethylocta-2,6-diene
Formula	C₁₀ H₁₈
Molecular Weight	138.25
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=[C@H]CCC(=[C@H]C)C)(C)C
SMILES	CACTVS	3.385	CC=C(C)CCC=C(C)C
SMILES	OpenEye OEToolkits	2.0.4	CC=C(C)CCC=C(C)C
Canonical SMILES	CACTVS	3.385	C/C=C(C)/CCC=C(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.4	C/C=C(\C)/CCC=C(C)C
InChI	InChI	1.03	InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/b10-5+
InChIKey	InChI	1.03	MZPDTOMKQCMETI-BJMVGYQFSA-N

Related Resource References

Resource Name	Reference
PubChem	5365898

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.