DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:43 UTC
Update Date	2025-03-25 00:46:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02157397
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₅O₈P
Molecular Mass	417.1049
SMILES	O=C(O)CCCNc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1
InChI Key	SFZMTUJKZWXCKQ-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	amino acids azacyclic compounds carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives 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 gamma amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate amine

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