2-Aminoheptanedioic acid; (±)-form

AlkaPlorer ID: AK285593

Synonym: None

IUPAC Name: 2-aminoheptanedioic acid

Structure

SMILES: NC(CCCCC(=O)O)C(=O)O

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InChI: InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)

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InChIKey: JUQLUIFNNFIIKC-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 175.184

TPSA: 100.62000000000002

MolLogP: 0.0432999999999995

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterobacter cloacae Enterobacter cloacae MIC 1000.0 ug.mL-1 10.1021/jm00151a015
Escherichia coli Escherichia coli MIC 1000.0 ug.mL-1 10.1021/jm00151a015
Homo sapiens Metabotropic glutamate receptor 1 EC50 1000000.0 nM 10.1021/jm9602569
Homo sapiens Metabotropic glutamate receptor 2 EC50 1000000.0 nM 10.1021/jm9602569
Homo sapiens Metabotropic glutamate receptor 6 EC50 1000000.0 nM 10.1021/jm9602569
Klebsiella pneumoniae Klebsiella pneumoniae MIC 500.0 ug.mL-1 10.1021/jm00151a015
Providencia rettgeri Providencia rettgeri MIC nan ug.mL-1 10.1021/jm00151a015
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 1000.0 ug.mL-1 10.1021/jm00151a015
Rattus norvegicus Arginase-1 Kd 30000000.0 nM 10.1021/acs.jmedchem.1c01691
Salmonella enterica subsp. enterica serovar Enteritidis Salmonella enteritidis MIC 1000.0 ug.mL-1 10.1021/jm00151a015
Serratia marcescens Serratia marcescens MIC 1000.0 ug.mL-1 10.1021/jm00151a015
None Unchecked MIC 1000.0 ug.mL-1 10.1021/jm00151a015

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004612 CC(=O)[CoA].NC(CCCCC(=O)O)C(=O)O>>CC(=O)NC(CCCCC(=O)O)C(=O)O enzymemap_28406
AKRT017378 NC(CCCCC(=O)O)C(=O)O>>O=C(O)CCCCC(=O)C(=O)O enzymemap_42228
AKRT022779 O=C(O)CCCCC(=O)C(=O)O>>NC(CCCCC(=O)O)C(=O)O enzymemap_42228