DCR

icosanoic acid

Created:	2008-10-13
Last modified:	2011-06-04

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6 entries where DCR is found as a standalone ligand1 entries where DCR is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	0

2D diagram of DCR

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Chemical Component Summary
Name	icosanoic acid
Systematic Name (OpenEye OEToolkits)	icosanoic acid
Formula	C₂₀ H₄₀ O₂
Molecular Weight	312.53
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKey	InChI	1.03	VKOBVWXKNCXXDE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10467
ChEMBL	CHEMBL1173381
ChEBI	CHEBI:28822

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.