DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:53 UTC
Update Date	2025-03-21 18:31:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00088134
Frequency	32.2
Structure
Chemical Formula	C₁₄H₂₂N₄O₇
Molecular Mass	358.1488
SMILES	NCCC(=O)NC(Cc1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O
InChI Key	TUTBPJGTEGBVKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids 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	imidazole ribonucleoside carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide alpha-amino acid or derivatives carboxylic acid derivative 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 azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid glycopeptide secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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