DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:36 UTC
Update Date	2025-03-25 00:56:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221259
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₃O₁₄P
Molecular Mass	483.0526
SMILES	O=C(O)CC(NC(=O)c1cc(=O)[nH]c(=O)n1C1OC(CO)C(OP(=O)(O)O)C1O)C(=O)O
InChI Key	RBEYWCWLVRUTKQ-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 heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pyrimidone alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives ribonucleoside 3'-phosphate alcohol vinylogous amide carbonic acid derivative 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 secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrimidine-6-carboxylic acid or derivatives organic phosphoric acid derivative alkyl phosphate organooxygen compound

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