DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:12 UTC
Update Date	2025-03-21 18:41:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134500
Frequency	18.7
Structure
Chemical Formula	C₆H₁₁N₂O₈P
Molecular Mass	270.0253
SMILES	NC(CC(=O)OP(=O)(O)O)C(=O)NCC(=O)O
InChI Key	LIVBKCMEPLQHKB-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl monophosphates alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organic phosphoric acids and derivatives organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide acyl monophosphate carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative organooxygen compound acyl phosphate

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