DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:28 UTC
Update Date	2025-03-21 18:35:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00106590
Frequency	25.3
Structure
Chemical Formula	C₉H₁₆N₄O₁₁P₂
Molecular Mass	418.0291
SMILES	NC(=O)c1c(N)ncn1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	VAPAISIHKYESRC-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 heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives pentose-5-phosphate carboxylic acid derivative 2-heteroaryl carboxamide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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