OCR

(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid

Created:	2008-03-17
Last modified:	2024-09-27

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2 entries where OCR is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	0

2D diagram of OCR

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Chemical Component Summary
Name	(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Synonyms	15-oxo-eicosatetraenoic acid
Systematic Name (OpenEye OEToolkits)	(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Formula	C₂₀ H₃₀ O₃
Molecular Weight	318.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(\C=C\C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
SMILES	CACTVS	3.341	CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCC(=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O
InChI	InChI	1.03	InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
InChIKey	InChI	1.03	YGJTUEISKATQSM-KIFLIQHDSA-N

Related Resource References

Resource Name	Reference
PubChem	49867431

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