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- ChemComp-M12: 10-METHYLUNDECANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: M12
NameName: 10-methylundecanoic acid

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Chemical information

Composition
Formula: C12H24O2 / Number of atoms: 38 / Formula weight: 200.318 / Formal charge: 0
Others

3iiq

Type: non-polymer / PDB classification: HETAIN / Three letter code: M12 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IIQ
History
Create componentJul 29, 2010
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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)CCCCCCCCC(C)C
CACTVS 3.352CC(C)CCCCCCCCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.352CC(C)CCCCCCCCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)

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InChIKey

InChI 1.03QJRRBVNPIKYRQJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.0410-methylundecanoic acid
OpenEye OEToolkits 1.6.110-methylundecanoic acid

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PDB entries

Showing all 5 items

PDB-1t7d:
Crystal structure of Escherichia coli type I signal peptidase in complex with a lipopeptide inhibitor

PDB-3iiq:
Crystallographic analysis of bacterial signal peptidase in ternary complex with Arylomycin A2 and a beta-sultam inhibitor

PDB-3rul:
New strategy to analyze structures of glycopeptide-target complexes

PDB-6m5e:
Human serum albumin with cyclic peptide dalbavancin

PDB-9nlo:
Escherichia coli Signal Peptidase I Delta 2-76 P84A in complex with lipopeptide inhibitor

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