B7M

(10E,12Z)-hexadeca-10,12-dienal

Created:	2009-03-12
Last modified:	2011-06-04

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1 entries where B7M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	0

2D diagram of B7M

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Chemical Component Summary
Name	(10E,12Z)-hexadeca-10,12-dienal
Systematic Name (OpenEye OEToolkits)	(10E,12Z)-hexadeca-10,12-dienal
Formula	C₁₆ H₂₈ O
Molecular Weight	236.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CCCCCCCCC\C=C\C=C/CCC
SMILES	CACTVS	3.352	CCCC=CC=CCCCCCCCCC=O
SMILES	OpenEye OEToolkits	1.6.1	CCCC=CC=CCCCCCCCCC=O
Canonical SMILES	CACTVS	3.352	CCC\C=C/C=C/CCCCCCCCC=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CCC\C=C/C=C/CCCCCCCCC=O
InChI	InChI	1.03	InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
InChIKey	InChI	1.03	OSFASEAZCNYZBW-SCFJQAPRSA-N

Related Resource References

Resource Name	Reference
PubChem	10922550

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.