DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:36 UTC
Update Date	2025-03-25 01:01:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253035
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₄O₇
Molecular Mass	356.1332
SMILES	O=C(Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)C1CCCN1
InChI Key	JEXDNTRGHOVAJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
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 lactams monosaccharides n-arylamides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols proline and derivatives pyrimidones pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives monosaccharide pyrimidone n-arylamide alpha-amino acid or derivatives carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrimidine nucleoside pyrrolidine primary alcohol organoheterocyclic compound proline or derivatives alcohol vinylogous amide secondary aliphatic amine carbonic acid derivative 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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