DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153237
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₅N₆O₇+
Molecular Mass	553.3344
SMILES	NC(=O)CCC(N)CCCC[n+]1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)c(CCC(N)C(=O)O)c1
InChI Key	GNAJFTREWYSKKF-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 fatty amides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines primary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound polyhalopyridine gamma amino acid or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound azacycle heteroaromatic compound hydroxypyridine carboxamide group pyridine organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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