DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:00 UTC
Update Date	2025-03-25 01:01:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247163
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈N₄O₇
Molecular Mass	376.1958
SMILES	CCC(C)C(NC(=O)CN(C)C(=N)NC1OC(CO)C(O)C1O)C(=O)O
InChI Key	PCUKLQXFRWOKCR-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines isoleucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid guanidine imine monosaccharide fatty acid alpha-amino acid or derivatives saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol methyl-branched fatty acid n-acyl-alpha-amino acid tetrahydrofuran carboximidamide carboxamide group branched fatty acid alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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