DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:42 UTC
Update Date	2025-03-21 18:41:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133409
Frequency	18.9
Structure
Chemical Formula	C₁₂H₂₀N₄O₁₃P₂
Molecular Mass	490.0502
SMILES	Nc1c(C(=O)NCCC(=O)O)ncn1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	FOZFXCJMMCZMNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group beta amino acid or derivatives organic pyrophosphate 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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