DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:37 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184419
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₂N₃O₆P
Molecular Mass	431.1246
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)OP(=O)(O)O
InChI Key	HHDMUJRYEOPJIR-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	peptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acyl monophosphates alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organic phosphoric acids and derivatives organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phosphoethanolamines pyrroles secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group indole fatty amide alpha-amino acid or derivatives alpha peptide phosphoethanolamine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid acyl monophosphate heteroaromatic compound indole or derivatives carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative organooxygen compound acyl phosphate

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