7LE

(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid

Created:	2016-11-10
Last modified:	2024-09-27

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1 entries where 7LE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	2
Bond Count	55
Aromatic Bond Count	0

2D diagram of 7LE

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Chemical Component Summary
Name	(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
Systematic Name (OpenEye OEToolkits)	(5~{Z},11~{Z},14~{R},15~{R},17~{Z})-14,15-bis(oxidanyl)icosa-5,8,11,17-tetraenoic acid
Formula	C₂₀ H₃₂ O₄
Molecular Weight	336.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[C@H](C\C=C/CC(O)C(CC=[C@H]CC)O)=[C@H]C[C@H]=CCCCC(=O)O
SMILES	CACTVS	3.385	CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCC=CCC(C(CC=CCC=CCC=CCCCC(=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/CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3-,13-10-/t18-,19-/m1/s1
InChIKey	InChI	1.03	BLWCDFIELVFRJY-OWQBLLPTSA-N

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.