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- ChemComp-EAH: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: EAH
NameName: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid

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Chemical information

Composition
Formula: C20H32O3 / Number of atoms: 55 / Formula weight: 320.466 / Formal charge: 0
Others

3dzt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EAH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DZT
History
Create componentAug 5, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)CCCC(O)C/C=C/C=C/C=C\C\C=C/CCCCC
CACTVS 3.341CCCCCC=CCC=CC=CC=CC[CH](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CC=CC=CCC(CCCC(=O)O)O

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SMILES CANONICAL

CACTVS 3.341CCCCC\C=C/C/C=C\C=C\C=C\C[C@@H](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O

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InChI

InChI 1.03InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-14,19,21H,2-5,8,15-18H2,1H3,(H,22,23)/b7-6-,10-9-,12-11+,14-13+/t19-/m1/s1

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InChIKey

InChI 1.03DVGDBDLZYCUGNU-LBIUVHPXSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
OpenEye OEToolkits 1.5.0(5S,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid

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PDB entries

Showing all 5 items

PDB-3dzt:
AeD7-leukotriene E4 complex

PDB-3nhi:
Crystal structure of the AnSt-D7L1-leukotriene C4 complex

PDB-3u3u:
Crystal structure of the tablysin-15-leukotriene E4 complex

PDB-5h9l:
Crystal Structure of LTBP1 in complex with cleaved Leukotriene C4

PDB-5hae:
Crystal structure of LTBP1 LTC4 complex collected on an in-house source

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