DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:11 UTC
Update Date	2025-03-25 00:57:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224852
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₅O₁₈P₃
Molecular Mass	657.0486
SMILES	NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc(C(=O)NC(CC(=O)O)C(=O)O)c2N)C(O)C1O
InChI Key	KXYNPYOEGSFGML-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 alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monoalkylamines monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine amine carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid carboxylic acid derivative phosphoethanolamine organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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