DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:33 UTC
Update Date	2025-03-21 18:35:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00104334
Frequency	26.0
Structure
Chemical Formula	C₁₄H₂₂N₄O₇
Molecular Mass	358.1488
SMILES	CC(NC(=O)C(N)Cc1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O
InChI Key	RCBBILZTKXCSTJ-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl imidazole ribonucleoside carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide monosaccharide alpha-amino acid or derivatives saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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