DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:11 UTC
Update Date	2025-03-25 00:59:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238246
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₄N₄O₁₀
Molecular Mass	492.1492
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCC2OC(c3c[nH]c(=O)[nH]c3=O)C(O)C2O)cc1)C(=O)O
InChI Key	IKXZHVUOSVPOGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids 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 pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety lactam carboxylic acid benzoyl monosaccharide dialkyl ether 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 glutamic acid or derivatives secondary aliphatic/aromatic amine secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative amine carbonyl group ether aromatic heteromonocyclic compound amino acid pyrimidone benzamide pyrimidine organic oxide organopnictogen compound carbonic acid derivative tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group oxacycle organic oxygen compound secondary alcohol phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

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