DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:29 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252763
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₃N₃O₅
Molecular Mass	397.1638
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)C(=O)O
InChI Key	CLMXTXNZKBPRLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives pyrroles secondary alcohols secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid indole alpha-hydroxy acid fatty amide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives alcohol tyrosine or derivatives alpha-amino acid amide azacycle heteroaromatic compound indole or derivatives hydroxy acid carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole hybrid glycopeptide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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