DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:25 UTC
Update Date	2025-03-25 00:54:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206764
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₄O₅
Molecular Mass	326.159
SMILES	O=C(NCc1cn(C2OC(CO)C(O)C2O)cn1)C1CCCN1
InChI Key	VTYPSEGNRBHMNC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	imidazole ribonucleosides and ribonucleotides
Direct Parent	imidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylamines heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	imidazole ribonucleoside carbonyl group aromatic heteromonocyclic compound amino acid or derivatives monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound azole n-substituted imidazole proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound secondary amine carboxamide group oxacycle secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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