DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:47 UTC
Update Date	2025-03-25 00:51:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184800
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₃O₇
Molecular Mass	305.1223
SMILES	N=C(NCCCC(=O)O)NC1C(=O)OC(CO)C(O)C1O
InChI Key	ACUBBIWFFSEBBH-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 esters
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids aminosaccharides carbonyl compounds carboximidamides carboxylic acid esters carboxylic acids delta valerolactones dicarboxylic acids and derivatives gamma amino acids and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid gamma amino acid or derivatives guanidine delta valerolactone imine monosaccharide fatty acid lactone saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol delta_valerolactone organoheterocyclic compound alcohol amino saccharide alpha-amino acid ester carboximidamide oxacycle organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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