DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:53 UTC
Update Date	2025-03-25 00:53:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203247
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₆N₄O₁₀
Molecular Mass	506.1649
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCc2cc(=O)[nH]c(=O)n2C2CC(O)C(CO)O2)cc1)C(=O)O
InChI Key	RSDGCVJFPISJIP-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 acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives lactams monosaccharides n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds phenylalkylamines primary alcohols pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl monosaccharide pyrimidone alpha-amino acid or derivatives carboxylic acid derivative benzamide pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrimidine nucleoside primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid tetrahydrofuran hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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