DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:11 UTC
Update Date	2025-03-21 18:28:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074578
Frequency	39.8
Structure
Chemical Formula	C₁₅H₂₂N₇O₉P
Molecular Mass	475.1217
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1
InChI Key	IVAOYFYIVCBWBA-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	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate fatty amide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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