DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:57 UTC
Update Date	2025-03-21 18:07:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00069231
Frequency	43.6
Structure
Chemical Formula	C₁₄H₁₈N₅O₁₀P
Molecular Mass	447.0791
SMILES	O=C(O)CC(Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1)C(=O)O
InChI Key	AEGVQRQSDYGRMI-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 acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate amine

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