DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:06 UTC
Update Date	2025-03-25 00:50:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183259
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃N₄O₁₁P
Molecular Mass	408.0318
SMILES	O=C(O)c1nc2[nH]c(=O)[nH]c(=O)c2n1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	ZELIIPQIQPXKML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	nucleoside and nucleotide analogues
Direct Parent	nucleoside and nucleotide analogues
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purine nucleosides purine ribonucleoside monophosphates purinones pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative purinone pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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