DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:56 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237673
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₅O₉P
Molecular Mass	391.0529
SMILES	Nc1nc2nc(C(=O)O)cnc2n1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	RQLUKRMKABSOJW-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 amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidazopyrazines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines pyrazine carboxylic acids secondary alcohols tetrahydrofurans
Substituents	carboxylic acid imidazopyrazine pentose phosphate amino acid or derivatives amino acid pentose-5-phosphate carboxylic acid derivative organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives phosphoric acid ester pyrazine monoalkyl phosphate secondary alcohol pyrazine carboxylic acid pyrazine carboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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