DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:45 UTC
Update Date	2025-03-25 00:59:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239517
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₆O₇
Molecular Mass	398.155
SMILES	N=C(NCCCC(=O)NC(Cc1cnc[nH]1)C(=O)O)NC(CC(=O)O)C(=O)O
InChI Key	MATJEJOIUFOEJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles imines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound gamma amino acid or derivatives guanidine imine fatty amide tricarboxylic acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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