DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:02 UTC
Update Date	2025-03-21 18:40:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00131918
Frequency	19.2
Structure
Chemical Formula	C₂₅H₄₄N₆O₈+₂
Molecular Mass	556.321
SMILES	NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCCC(N)C(O)=O)=[N+]1CCCCC(N)C(O)=O)C(O)=O
InChI Key	JYERKNQBHWOAEF-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 pyridazines and derivatives
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound azacycle heteroaromatic compound tetracarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organic oxygen compound pyridazine 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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