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- ChemComp-F22: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: F22
Status

HXA

Status: Obsoleted / Replaced by: HXA
NameName: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid

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Chemical information

Composition
Formula: C22H32O2 / Number of atoms: 56 / Formula weight: 328.488 / Formal charge: 0
Others

2vv0

Type: non-polymer / Three letter code: F22 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VV0
History
Create componentJun 2, 2008
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)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
CACTVS 3.341CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

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SMILES CANONICAL

CACTVS 3.341CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O

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InChI

InChI 1.02bInChI=1/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/f/h23H

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InChIKey

InChI 1.02bMBMBGCFOFBJSGT-YALXRAKKDU

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SYSTEMATIC NAME

ACDLabs 10.04(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
OpenEye OEToolkits 1.5.0(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid

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PDB entries

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