DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:45 UTC
Update Date	2025-03-21 18:32:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00090159
Frequency	31.2
Structure
Chemical Formula	C₁₈H₃₆N₄O₈
Molecular Mass	436.2533
SMILES	NC(CCCCNC(=O)C(N)CCCCNCC1(O)OC(CO)C(O)C1O)C(=O)O
InChI Key	KCJJUUOBCKGJMV-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 acid amides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty amide monosaccharide fatty acid medium-chain hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal medium-chain fatty acid hydroxy fatty acid primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine alpha-amino acid amide tetrahydrofuran secondary amine carboxamide group amino fatty acid n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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