DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:45 UTC
Update Date	2025-03-21 18:38:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119427
Frequency	21.8
Structure
Chemical Formula	C₆H₁₃N₂O₇P
Molecular Mass	256.046
SMILES	NC(CC(=O)NCCOP(=O)(O)O)C(=O)O
InChI Key	AIBGYSZMFYERTQ-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	asparagine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds phosphoethanolamines secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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