DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:01 UTC
Update Date	2025-03-25 00:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240145
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₀N₄O₆
Molecular Mass	386.2165
SMILES	NC(CCCCNC(=O)CCNC(=O)CCN1CCCC1C(=O)O)C(=O)O
InChI Key	LMEPSXZSGKIPGM-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound medium-chain fatty acid pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine carboxamide group amino fatty acid beta amino acid or derivatives secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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