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- ChemComp-VKV: 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: VKV
NameName: 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
Synonyms: 2-Arachidonyl Glycerol Ether

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Chemical information

Composition
Formula: C23H40O3 / Number of atoms: 66 / Formula weight: 364.562 / Formal charge: 0
Others

7jvy

Type: non-polymer / PDB classification: HETAIN / Three letter code: VKV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7JVY
History
Create componentAug 24, 2020
Modify synonymsMar 1, 2021
Initial releaseMar 10, 2021
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 12.01C(CO)(OCCCC\C=C/C\C=C/C/C=C\C/C=C\CCCCC)CO
CACTVS 3.385CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO
OpenEye OEToolkits 2.0.7CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO

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SMILES CANONICAL

CACTVS 3.385CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCOC(CO)CO
OpenEye OEToolkits 2.0.7CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO

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InChI

InChI 1.03InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-

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InChIKey

InChI 1.03CUJUUWXZAQHCNC-DOFZRALJSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
OpenEye OEToolkits 2.0.72-[(5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol

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PDB entries

Showing all 1 items

PDB-7jvy:
Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether

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