DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:25 UTC
Update Date	2025-03-21 18:01:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034711
Frequency	103.4
Structure
Chemical Formula	C₁₇H₂₉N₄O₁₈P₃
Molecular Mass	670.069
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(N)nc3=O)CC2O)OC(CO)C(O)C1O
InChI Key	WYWJPMMUUDGRLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates n-acyl-alpha-hexosamines organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines pyrimidine 2'-deoxyribonucleoside triphosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine pyrimidine 2'-deoxyribonucleoside triphosphate organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide 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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