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- ChemComp-DCR: icosanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: DCR
NameName: icosanoic acid

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Chemical information

Composition
Formula: C20H40O2 / Number of atoms: 62 / Formula weight: 312.53 / Formal charge: 0
Others

3eut

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DCR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3EUT
History
Create componentOct 13, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04O=C(O)CCCCCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

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InChIKey

InChI 1.03VKOBVWXKNCXXDE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04icosanoic acid
OpenEye OEToolkits 1.5.0icosanoic acid

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PDB entries

Showing all 7 items

3eut

4l40

5m0p

6lq6

6opb

6v8l

7x4j

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