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- ChemComp-PML: PIMELIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: PML
NameName: pimelic acid

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Chemical information

Composition
Formula: C7H12O4 / Number of atoms: 23 / Formula weight: 160.168 / Formal charge: 0
Others

1kgt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PML / Model coordinates PDB-ID: 1KGT
History
Create componentDec 3, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / 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 10.04O=C(O)CCCCCC(=O)O
CACTVS 3.341OC(=O)CCCCCC(O)=O
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCC(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CCCCCC(O)=O
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCC(=O)O

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InChI

InChI 1.03InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

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InChIKey

InChI 1.03WLJVNTCWHIRURA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04heptanedioic acid
OpenEye OEToolkits 1.5.0heptanedioic acid

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PDB entries

Showing all 6 items

PDB-1kgt:
Crystal Structure of Tetrahydrodipicolinate N-Succinyltransferase in Complex with Pimelate and Succinyl-CoA

PDB-4djj:
Crystal structure of the complex of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Pimelic acid at 2.9 Angstrom resolution

PDB-5flg:
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP

PDB-5g1f:
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A

PDB-5tv6:
A. aeolicus BioW with pimelate

PDB-5tv8:
A. aeolicus BioW with AMP-CPP and pimelate

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