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- ChemComp-MYR: MYRISTIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MYR

Yorodumi
NameName: myristic acid / Type: NON-POLYMER (HETAIN)
Composition
Formula: C14H28O2 / Number of atoms: 44 / Formula weight: 228.371 / Formal charge: 0
WikipediaWikipedia - Myristic acid: Myristic acid (IUPAC systematic name: 1-tetradecanoic acid) is a common saturated fatty acid with the molecular formula CH3(CH2)12COOH. Its salts and esters are commonly referred to as myristates...
DateCreate component: Jul 7, 1999 / Modify descriptor: Jun 4, 2011 / Modify leaving atom flag: Apr 22, 2014
External linksTOXNET,NIH / PubChem

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(O)CCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

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InChIKey

InChI 1.03TUNFSRHWOTWDNC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01tetradecanoic acid
OpenEye OEToolkits 1.7.6tetradecanoic acid

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