DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:37 UTC
Update Date	2025-03-25 00:57:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223612
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₅O₆
Molecular Mass	395.1805
SMILES	N=C(N)NCCCC(NC(=O)C(Cc1ccc(O)cc1)NCC(=O)O)C(=O)O
InChI Key	SMIADCDUVQDHOB-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives arginine and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides guanidines hydrocarbon derivatives imines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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