DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:25 UTC
Update Date	2025-03-21 18:04:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051450
Frequency	63.5
Structure
Chemical Formula	C₁₂H₁₇N₄O₁₂P
Molecular Mass	440.0581
SMILES	O=C(O)CC(NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)n1)C(=O)O
InChI Key	BAOILOSPWFNFJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	triazole ribonucleosides and ribonucleotides
Subclass	triazole ribonucleosides and ribonucleotides
Direct Parent	triazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols secondary carboxylic acid amides tetrahydrofurans triazole carboxamides
Substituents	triazole carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide 1,2,4-triazole carboxylic acid or derivatives saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-ribosyl-1,2,4-triazole organoheterocyclic compound azole 1,2-diol n-acyl-alpha amino acid or derivatives alcohol 1,2,4-triazole azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives 1,2,4-triazole carboxamide secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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