DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:17 UTC
Update Date	2025-03-21 18:05:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058114
Frequency	54.5
Structure
Chemical Formula	C₁₇H₂₇N₄O₇+
Molecular Mass	399.1874
SMILES	NC(CCC(=O)O)C[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1
InChI Key	SLIMDMDCTHPOAY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound azacycle polyhalopyridine gamma amino acid or derivatives heteroaromatic compound hydroxypyridine tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide pyridine organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic cation organoheterocyclic compound organooxygen compound

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