DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:52 UTC
Update Date	2025-03-21 18:30:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081115
Frequency	35.7
Structure
Chemical Formula	C₁₄H₁₉N₂O₉P
Molecular Mass	390.0828
SMILES	NC(CCC(=O)NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O)C(=O)O
InChI Key	NIRGZPPGWKRLFA-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	alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenyl phosphates phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid phenyl phosphate carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phosphoric acid ester dicarboxylic acid or derivatives hydrocarbon derivative aryl phosphomonoester benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound aryl phosphate organic phosphoric acid derivative organooxygen compound

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