DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:39 UTC
Update Date	2025-03-25 00:53:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202725
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₂O₁₁P
Molecular Mass	412.0883
SMILES	O=C(O)CNC(=O)C1=CN(C2OC(COP(=O)(O)O)C(O)C2O)CC(O)C1
InChI Key	PTCROEHTSPTIQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acyl glycines alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids enamines hydrocarbon derivatives monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides nicotinamides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols secondary carboxylic acid amides tetrahydrofurans tetrahydropyridines vinylogous amides
Substituents	carbonyl group carboxylic acid pentose phosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives nicotinamide-nucleotide carboxylic acid derivative saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran tetrahydropyridine carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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