DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:02 UTC
Update Date	2025-03-25 00:57:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226702
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₅O₁₀P
Molecular Mass	439.1104
SMILES	CC(O)C(NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N)C(N)=O
InChI Key	CMVGVELFRRSCQZ-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	2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives fatty amide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group n-substituted-alpha-amino acid 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide 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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