DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:41 UTC
Update Date	2025-03-21 18:31:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085378
Frequency	33.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₁₀P+
Molecular Mass	393.0694
SMILES	O=C(O)CNC(=O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1
InChI Key	JNNVMTVBUWXABQ-UHFFFAOYSA-O
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	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyridine nucleotides pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound 1,2-diol pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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