DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:19 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151855
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₂N₄O₇
Molecular Mass	404.2271
SMILES	NC(CCCCNC(=O)C(N)CCCCNC(CCC(=O)O)C(=O)O)C(=O)O
InChI Key	PNFFUNASIBOPRK-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide tricarboxylic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid amide glutamic acid or derivatives secondary amine carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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