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- ChemComp-FTT: 3-HYDROXY-TETRADECANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: FTT
NameName: 3-hydroxy-tetradecanoic acid / Synonyms: 3-HYDROXY-MYRISTIC ACID

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Chemical information

Composition
Formula: C14H28O3 / Number of atoms: 45 / Formula weight: 244.37 / Formal charge: 0
Others

1qfg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FTT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QFG
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify leaving atom flagJul 11, 2012
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / DrugBank / HMDB / LipidMaps / Metabolights / 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 12.01O=C(O)CC(O)CCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(CC(=O)O)O

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SMILES CANONICAL

CACTVS 3.370CCCCCCCCCCC[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCC[C@H](CC(=O)O)O

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InChI

InChI 1.03InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1

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InChIKey

InChI 1.03ATRNZOYKSNPPBF-CYBMUJFWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-3-hydroxytetradecanoic acid
OpenEye OEToolkits 1.7.6(3R)-3-oxidanyltetradecanoic acid

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