DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:16 UTC
Update Date	2025-03-25 00:54:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206398
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₆N₅O₈+
Molecular Mass	498.2558
SMILES	NC(CCC(=O)O)CC[n+]1cc(CCC(N)C(=O)O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1
InChI Key	TYLMGUPBYXSSIK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound azacycle polyhalopyridine gamma amino acid or derivatives heteroaromatic compound hydroxypyridine tetracarboxylic 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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