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- ChemComp-0L1: hexanedioic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 0L1
NameName: hexanedioic acid / Synonyms: Adipic acid

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Chemical information

Composition
Formula: C6H10O4 / Number of atoms: 20 / Formula weight: 146.141 / Formal charge: 0
Others

4dhw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0L1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4DHW
History
Create componentFeb 8, 2012
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / 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 12.01O=C(O)CCCCC(=O)O
CACTVS 3.370OC(=O)CCCCC(O)=O
OpenEye OEToolkits 1.7.6C(CCC(=O)O)CC(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)CCCCC(O)=O
OpenEye OEToolkits 1.7.6C(CCC(=O)O)CC(=O)O

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InChI

InChI 1.03InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

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InChIKey

InChI 1.03WNLRTRBMVRJNCN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01hexanedioic acid
OpenEye OEToolkits 1.7.6hexanedioic acid

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PDB entries

Showing all 6 items

PDB-4dhw:
Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Adipic acid at 2.4 Angstrom resolution

PDB-4jt0:
Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a

PDB-4utz:
Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide

PDB-5d2j:
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and adipate

PDB-5oku:
R. palustris Rpa4515 with adipate

PDB-7xgl:
Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in Apo form

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