DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:18 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151828
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₃O₁₀P
Molecular Mass	447.1043
SMILES	NC(CCC(=O)NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O)C(=O)O
InChI Key	KHQGPPGEQQSHIK-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	oligopeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenyl phosphates phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 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 alpha-amino acid amide n-acyl-alpha-amino acid phenyl phosphate carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid aromatic homomonocyclic compound 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 alpha-oligopeptide organic nitrogen compound phenoxy compound aryl phosphate organic phosphoric acid derivative organooxygen compound

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