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- ChemComp-LAX: EICOSA-8,11,14-TRIENOIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: LAX
NameName: eicosa-8,11,14-trienoic acid / Synonyms: DIHOMO-GAMMA-LINOLENIC ACID

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Chemical information

Composition
Formula: C20H34O2 / Number of atoms: 56 / Formula weight: 306.483 / Formal charge: 0
Others

1fe2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LAX / Model coordinates PDB-ID: 1FE2
History
Create componentAug 10, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / 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)CCCCCC\C=C/C\C=C/C\C=C/CCCCC
CACTVS 3.341CCCCCC=CCC=CCC=CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCC=CCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.341CCCCC\C=C/C/C=C\C\C=C/CCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-

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InChIKey

InChI 1.03HOBAELRKJCKHQD-QNEBEIHSSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid
OpenEye OEToolkits 1.5.0(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid

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PDB entries

Showing all 1 items

PDB-1fe2:
CRYSTAL STRUCTURE OF DIHOMO-GAMMA-LINOLEIC ACID BOUND IN THE CYCLOOXYGENASE CHANNEL OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1.

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