DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:29 UTC
Update Date	2025-03-21 18:01:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034888
Frequency	102.7
Structure
Chemical Formula	C₁₅H₂₄N₄O₇
Molecular Mass	372.1645
SMILES	NC(CCCCNCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)O
InChI Key	XBHNEQJEQGWJPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxyribonucleosides
Direct Parent	5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids lactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound 1,2-diol alcohol vinylogous amide secondary aliphatic amine 5'-deoxyribonucleoside carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound secondary amine amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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