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- ChemComp-T55: 8-METHYLNONANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: T55
NameName: 8-methylnonanoic acid

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Chemical information

Composition
Formula: C10H20O2 / Number of atoms: 32 / Formula weight: 172.265 / Formal charge: 0
Others

2wdx
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: T55 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WDX
History
Create componentMar 27, 2009
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(N)CCCCCCC(C)C
CACTVS 3.352CC(C)CCCCCCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCCCCC(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

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InChIKey

InChI 1.03OAOABCKPVCUNKO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.048-methylnonanoic acid
OpenEye OEToolkits 1.6.18-methylnonanoic acid

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PDB entries

Showing all 6 items

PDB-2xad:
Crystal structure of deacetylase-teicoplanin complex in biosynthesis pathway of teicoplanin

PDB-3vfj:
The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier

PDB-3vfk:
The structure of monodechloro-teicoplanin in complex with its ligand, using ubiquitin as a ligand carrier

PDB-4pjz:
CRYSTAL STRUCTURE OF T4 LYSOZYME-GSS-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2

PDB-4pk0:
CRYSTAL STRUCTURE OF T4 LYSOZYME-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2

PDB-5awv:
Crystal structure of glycopeptide hexose oxidase DBV29 complexed with teicoplanin

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