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- ChemComp-5UF: (3~{S})-3-oxidanyldecanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5UF
NameName: (3~{S})-3-oxidanyldecanoic acid / Synonyms: Myrmicacin; 3-hydroxydecanoic acid

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Chemical information

Composition
Formula: C10H20O3 / Number of atoms: 33 / Formula weight: 188.264 / Formal charge: 0
Others

5f2n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F2N
History
Create componentDec 2, 2015
Initial releaseDec 29, 2015
Modify synonymsMay 26, 2020
External linksUniChem / ChemSpider / ChEBI / HMDB / LipidMaps / Nikkaji / PubChem / 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

CACTVS 3.385CCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 2.0.4CCCCCCCC(CC(=O)O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCC[C@H](O)CC(O)=O
OpenEye OEToolkits 2.0.4CCCCCCC[C@@H](CC(=O)O)O

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InChI

InChI 1.03InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1

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InChIKey

InChI 1.03FYSSBMZUBSBFJL-VIFPVBQESA-N

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PDB entries

Showing all 3 items

PDB-5f2n:
Crystal structure of mycobacterial fatty acid O-methyltransferase in complex with SAH and 3-hydroxy-decanoate.

PDB-5f2o:
Crystal structure of mycobacterial fatty acid O-methyltransferase Q154A mutant in complex with SAH and 3-hydroxy-decanoate.

PDB-8ik2:
RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis

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