DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:17 UTC
Update Date	2025-03-21 18:41:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00137004
Frequency	18.3
Structure
Chemical Formula	C₂₅H₄₄N₆O₉+₂
Molecular Mass	572.3159
SMILES	NC(CCCC[n+]1cc(CCC(N)C(=O)O)c[n+](CC(O)CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O
InChI Key	HNPAZZSIXQWSBQ-UHFFFAOYSA-P
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 heteroaromatic compounds hydrocarbon derivatives monoalkylamines organic cations organic oxides organonitrogen compounds organopnictogen compounds pyrimidines and pyrimidine derivatives secondary alcohols
Substituents	alcohol carbonyl group carboxylic acid aromatic heteromonocyclic compound azacycle heteroaromatic compound tetracarboxylic acid or derivatives alpha-amino acid or derivatives pyrimidine organic oxide organic oxygen compound organonitrogen compound alpha-amino acid secondary alcohol organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic cation organoheterocyclic compound organooxygen compound

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