DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:47 UTC
Update Date	2025-03-25 00:52:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191622
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₇N₃O₈
Molecular Mass	377.1798
SMILES	CC(=O)NC1C(O)CC(C(=O)O)OC1(O)CNCCCCC(N)C(=O)O
InChI Key	DHPLEOOKMWPPOS-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	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid pyran carboxylic acid medium-chain hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound acetamide alcohol secondary aliphatic amine pyran carboxylic acid or derivatives secondary amine carboxamide group amino fatty acid oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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