J1W

2-Bromopalmitic acid

Created:	2019-01-12
Last modified:	2020-02-05

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2 entries where J1W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	0

2D diagram of J1W

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Chemical Component Summary
Name	2-Bromopalmitic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-bromanylhexadecanoic acid
Formula	C₁₆ H₃₁ Br O₂
Molecular Weight	335.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCCCCCCC[CH](Br)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCCCC(C(=O)O)Br
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCC[C@@H](Br)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCCC[C@H](C(=O)O)Br
InChI	InChI	1.03	InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
InChIKey	InChI	1.03	DPRAYRYQQAXQPE-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	11056766

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.