DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:51 UTC
Update Date	2025-03-25 00:50:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178206
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₄O₆
Molecular Mass	300.107
SMILES	Cn1c(=O)[nH]c(N)c(NC(=O)CC(O)CCC(=O)O)c1=O
InChI Key	USOWGDNEDOYSQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids lactams medium-chain fatty acids monocarboxylic acids and derivatives n-arylamides organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines pyrimidones secondary alcohols secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid pyrimidone n-arylamide carboxylic acid derivative medium-chain hydroxy acid pyrimidine organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle heteroaromatic compound carboxamide group amino fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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