DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:57 UTC
Update Date	2025-03-25 00:57:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226533
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅N₂O₈P
Molecular Mass	310.0566
SMILES	CC(OP(=O)(O)O)C(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	JTYCYWJQSWYPOR-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	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives lactams monoalkyl phosphates monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phosphoethanolamines proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	2-pyrrolidone carbonyl group lactam carboxylic acid short-chain hydroxy acid fatty acid alpha-amino acid or derivatives phosphoethanolamine organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organic phosphoric acid derivative alkyl phosphate organooxygen compound

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