+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VCA | ||
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Name | Name: Wikipedia | Wikipedia - Vaccenic acid: Vaccenic acid is a naturally occurring trans fatty acid and an omega-7 fatty acid. It is the predominant kind of trans-fatty acid found in human milk, in the fat of ruminants, and in dairy products such as milk, butter, and yogurt.
Trans fat in human milk may depend on trans fat content in food. | Its IUPAC name is (11E)-11-octadecenoic acid, and its lipid shorthand name is 18:1 trans-11... |
-Chemical information
Composition | Formula: C18H34O2 / Number of atoms: 54 / Formula weight: 282.461 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VCA / Ideal coordinates details: Corina | ||||||
History |
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External links | Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / LipidMaps / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | |
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