4R8

(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid

Created:	2008-06-02
Last modified:	2024-09-27

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1 entries where 4R8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	0

2D diagram of 4R8

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Chemical Component Summary
Name	(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
Synonyms	4-OXODOCOSAHEXAENOIC ACID
Systematic Name (OpenEye OEToolkits)	(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
Formula	C₂₂ H₃₂ O₃
Molecular Weight	344.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(C/C=C/CC\C=C/C\C=C/C\C=C/C\C=C/CC)CCC(=O)O
SMILES	CACTVS	3.341	CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCC(=O)O
Canonical SMILES	CACTVS	3.341	CC\C=C/C/C=C\C\C=C/C/C=C\CC\C=C\CC(=O)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+
InChIKey	InChI	1.03	MTWLPOVQRMKOLI-IIFHDYRKSA-N

Related Resource References

Resource Name	Reference
PubChem	49866516

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