DJ3

5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid

Created:	2017-03-23
Last modified:	2019-09-04

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3 entries where DJ3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	2
Bond Count	53
Aromatic Bond Count	0

2D diagram of DJ3

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Chemical Component Summary
Name	5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid
Systematic Name (OpenEye OEToolkits)	4-[(2~{S},3~{S})-3-[(1~{E},3~{E},5~{Z},8~{Z})-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid
Formula	C₂₀ H₃₀ O₃
Molecular Weight	318.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCC=CCC=CC=CC=C[CH]1O[CH]1CCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)O
Canonical SMILES	CACTVS	3.385	CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O
InChI	InChI	1.03	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
InChIKey	InChI	1.03	UFPQIRYSPUYQHK-WAQVJNLQSA-N

Related Resource References

Resource Name	Reference
PubChem	5280383
ChEMBL	CHEMBL69439
ChEBI	CHEBI:15651

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.