DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:37 UTC
Update Date	2025-03-21 18:31:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087513
Frequency	32.5
Structure
Chemical Formula	C₁₂H₁₆NO₇P
Molecular Mass	317.0664
SMILES	CC(OP(=O)(O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	QYBAHMHUYSCYDW-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkyl phosphates monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids phosphoethanolamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00087513