VKV

2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol

Created:	2020-08-24
Last modified:	2021-03-10

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1 entries where VKV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	0
Bond Count	65
Aromatic Bond Count	0

2D diagram of VKV

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Chemical Component Summary
Name	2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
Synonyms	2-Arachidonyl Glycerol Ether
Systematic Name (OpenEye OEToolkits)	2-[(5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol
Formula	C₂₃ H₄₀ O₃
Molecular Weight	364.562
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CO)(OCCCC\C=C/C\C=C/C/C=C\C/C=C\CCCCC)CO
SMILES	CACTVS	3.385	CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO
SMILES	OpenEye OEToolkits	2.0.7	CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO
Canonical SMILES	CACTVS	3.385	CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCOC(CO)CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
InChI	InChI	1.03	InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey	InChI	1.03	CUJUUWXZAQHCNC-DOFZRALJSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL146346
PubChem	6483057
ChEMBL	CHEMBL146346
ChEBI	CHEBI:75913

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.