DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:18 UTC
Update Date	2025-03-21 18:03:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041602
Frequency	82.5
Structure
Chemical Formula	C₁₀H₁₄N₅O₁₀PS
Molecular Mass	427.0199
SMILES	Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)O)C(OP(=O)(O)O)C1O
InChI Key	OICPGPQNUOOKMO-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	alkyl sulfates azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid monoesters tetrahydrofurans
Substituents	sulfuric acid monoester pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol sulfate-ester hydrocarbon derivative primary amine purine organic nitrogen compound sulfuric acid ester organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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