DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:10 UTC
Update Date	2025-03-25 00:51:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190268
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₆O₈P
Molecular Mass	458.1315
SMILES	CC(=O)N1CCN(c2ncnc3c2ncn3C2OC(CO)C(OP(=O)(O)O)C2O)CC1
InChI Key	VCDPSDMLBJMCTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides aminopyrimidines and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylpiperazines n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols purines and purine derivatives secondary alcohols tertiary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide piperazine aromatic heteropolycyclic compound imidazole tertiary carboxylic acid amide organonitrogen compound organopnictogen compound dialkylarylamine primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group aminopyrimidine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate 1,4-diazinane secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative n-arylpiperazine alkyl phosphate organooxygen compound

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