DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:18 UTC
Update Date	2025-03-21 18:41:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132520
Frequency	19.1
Structure
Chemical Formula	C₁₈H₃₀N₄O₁₆P₂
Molecular Mass	620.1132
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cc(C)c(N)nc3=O)C(O)C2O)OC(CO)C(O)C1O
InChI Key	VWUKAMBAPSOBQT-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 organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines pyrimidine ribonucleoside diphosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside diphosphate 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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