7EZ

(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid

Created:	2016-10-17
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 7EZ is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	0

2D diagram of 7EZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid
Systematic Name (OpenEye OEToolkits)	(4~{Z},7~{Z},10~{Z},13~{Z},16~{R},19~{Z})-16,17-bis(oxidanyl)docosa-4,7,10,13,19-pentaenoic acid
Formula	C₂₂ H₃₄ O₄
Molecular Weight	362.503
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC[C@H]=[C@H]CC(O)C(O)C[C@H]=CC/C=C\C/C=C\C/C=C\CCC(=O)O
SMILES	CACTVS	3.385	CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCC=CCC(C(CC=CCC=CCC=CCC=CCCC(=O)O)O)O
Canonical SMILES	CACTVS	3.385	CC\C=C/C[C@@H](O)[C@H](O)C\C=C/C\C=C/C/C=C\C\C=C/CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-/t20-,21-/m1/s1
InChIKey	InChI	1.03	YXQCSWUATWXVGK-QJJBBLQJSA-N

Related Resource References

Resource Name	Reference
PubChem	129364499

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.