DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:05 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185514
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₄O₉P
Molecular Mass	390.0577
SMILES	Nc1ncc(C(=O)O)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c12
InChI Key	JJJNMKJQCMTDIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-carboxy-2-haloaromatic compounds 2-halopyridines amino acids azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary amines pyridine-3-carboxylic acids secondary alcohols tetrahydrofurans
Substituents	pyridine carboxylic acid or derivatives carboxylic acid pentose phosphate amino acid or derivatives amino acid pyridine-3-carboxylic acid polyhalopyridine pentose-5-phosphate imidazopyridine carboxylic acid derivative organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound 2-halopyridine imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle monocarboxylic acid or derivatives pyridine phosphoric acid ester monoalkyl phosphate pyridine carboxylic acid secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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