DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:31 UTC
Update Date	2025-03-25 00:45:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152314
Frequency	0.5
Structure
Chemical Formula	C₃₂H₄₇N₆O₁₀+
Molecular Mass	675.3348
SMILES	NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)c(CC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)O)c1)C(=O)O
InChI Key	ZDKRQKJKJZWOSN-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines n-acyl-alpha amino acids organic cations organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives polyhalopyridines secondary carboxylic acid amides tetracarboxylic acids and derivatives tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound polyhalopyridine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine tetracarboxylic acid or derivatives carboxamide group alpha-dipeptide secondary carboxylic acid amide pyridine phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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