DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:36 UTC
Update Date	2025-03-21 18:01:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035156
Frequency	101.7
Structure
Chemical Formula	C₂₅H₃₉N₄O₁₀+
Molecular Mass	555.2661
SMILES	NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)c(CCC(C(=O)O)C(=O)O)c1)C(=O)O
InChI Key	ZHEAJTBJTWQROD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	pentacarboxylic acids and derivatives
Direct Parent	pentacarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acids azacyclic compounds carboxylic acids 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 heteroaromatic compound hydroxypyridine alpha-amino acid or derivatives pentacarboxylic 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 1,3-dicarbonyl compound organoheterocyclic compound organooxygen compound

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