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- ChemComp-5LC: N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) -

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Basic information

EntryDatabase: PDB chemical components / ID: 5LC
NameName: N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)

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Chemical information

Composition
Formula: C19H22N2O6 / Number of atoms: 49 / Formula weight: 374.388 / Formal charge: 0
Others

4umh
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5LC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UMH
History
Create componentMay 16, 2014
Initial releaseJun 29, 2016
External linksUniChem / ChemSpider / Brenda / ChEMBL / NMRShiftDB / Nikkaji / PubChem / 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(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O
CACTVS 3.385Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O

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SMILES CANONICAL

CACTVS 3.385Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O

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InChI

InChI 1.03InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)

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InChIKey

InChI 1.03BRWLZTCRFJVZDD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
OpenEye OEToolkits 1.7.6N-[5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]pentyl]-2,3-bis(oxidanyl)benzamide

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PDB entries

Showing all 4 items

PDB-5a5d:
A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with the CeuE periplasmic protein from Campylobacter jejuni

PDB-5tcy:
A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni.

PDB-8baw:
X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - 5-LICAM siderophore analogue complex.

PDB-8bj9:
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 5LICAM complex.

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