DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:21 UTC
Update Date	2025-03-25 00:46:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156593
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇N₂O₈P
Molecular Mass	372.0723
SMILES	O=C1CCC(C(=O)NC(Cc2ccc(OP(=O)(O)O)cc2)C(=O)O)N1
InChI Key	LZYGNLHKUXZGMU-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenyl phosphates phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid phenyl phosphate carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phosphoric acid ester hydrocarbon derivative aryl phosphomonoester benzenoid organic nitrogen compound pyrrolidine-2-carboxamide phenoxy compound aryl phosphate organic phosphoric acid derivative organooxygen compound

Showing information for DMID02156593