DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:47 UTC
Update Date	2025-03-25 00:59:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239609
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₄O₆
Molecular Mass	316.1383
SMILES	N=C(N)NCCCC(C(=O)O)C(=O)N1CC(O)CC1C(=O)O
InChI Key	NNMCYFRIJYEDEC-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acids azacyclic compounds branched fatty acids carboximidamides carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid guanidine imine n-acylpyrrolidine fatty acid organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives hydroxy fatty acid pyrrolidine organoheterocyclic compound proline or derivatives alcohol azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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