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- ChemComp-A9M: N-(2-hydroxyethyl)icosanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: A9M
NameName: N-(2-hydroxyethyl)icosanamide

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Chemical information

Composition
Formula: C22H45NO2 / Number of atoms: 70 / Formula weight: 355.598 / Formal charge: 0
Others

4azp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A9M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AZP
History
Create componentJun 27, 2012
Initial releaseAug 7, 2013
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / CompTox / HMDB / LipidMaps / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / SwissLipids / ZINC / 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 12.01O=C(NCCO)CCCCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCCCC(=O)NCCO
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCCC(=O)NCCO

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SMILES CANONICAL

CACTVS 3.370CCCCCCCCCCCCCCCCCCCC(=O)NCCO
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCCC(=O)NCCO

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InChI

InChI 1.03InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)

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InChIKey

InChI 1.03AUJVQJHODMISJP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(2-hydroxyethyl)icosanamide
OpenEye OEToolkits 1.7.6N-(2-hydroxyethyl)icosanamide

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PDB entries

Showing all 2 items

PDB-4azp:
Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide

PDB-4azr:
Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide

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