DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:59 UTC
Update Date	2025-03-21 18:01:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031322
Frequency	117.7
Structure
Chemical Formula	C₇H₁₅N₂O₇P
Molecular Mass	270.0617
SMILES	NC(CCC(=O)NCCOP(=O)(O)O)C(=O)O
InChI Key	LMBVAFSEEDPQMD-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	glutamine 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 glutamine or derivatives fatty amide fatty acid phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 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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