DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:53:19 UTC
Update Date	2025-03-25 01:13:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02323483
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁N₆O₂₄P₅
Molecular Mass	870.0078
SMILES	CC(=O)NC1C(O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1OP(=O)(O)O
InChI Key	ZXZCBAQGLJPFHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides acylaminosugars amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives hemiacetals heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound hemiacetal oxane imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

Showing information for DMID02323483