DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:56 UTC
Update Date	2025-03-25 00:49:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176059
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₄O₁₁P
Molecular Mass	424.0631
SMILES	Nc1c(C(=O)NC(=O)C(O)C(=O)O)ncn1C1CC(O)C(COP(=O)(O)O)O1
InChI Key	IMDGOWQTOTWMAO-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	1,3-dicarbonyl compounds alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonylimidazoles carboxylic acids dicarboximides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds oxacyclic compounds primary amines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid alpha-hydroxy acid carboxylic acid derivative carboxylic acid imide, n-unsubstituted organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group dicarboximide organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxy acid carboxylic acid imide oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound 1,3-dicarbonyl compound organic phosphoric acid derivative amine alkyl phosphate

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