1AG

(2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Created:	2010-04-13
Last modified:	2011-06-04

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3 entries where 1AG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	0

2D diagram of 1AG

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Chemical Component Summary
Name	(2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Systematic Name (OpenEye OEToolkits)	[(2S)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Formula	C₂₃ H₃₈ O₄
Molecular Weight	378.545
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(O)CO)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
SMILES	CACTVS	3.370	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	1.7.0	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)O
Canonical SMILES	CACTVS	3.370	CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(=O)OC[C@@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O
InChI	InChI	1.03	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1
InChIKey	InChI	1.03	DCPCOKIYJYGMDN-HUDVFFLJSA-N

Related Resource References

Resource Name	Reference
PubChem	16019980
ChEMBL	CHEMBL124426
ChEBI	CHEBI:34071

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.