DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:21 UTC
Update Date	2025-03-25 01:00:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240900
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₇N₅O₅
Molecular Mass	345.2012
SMILES	CC(C)C(NC(=O)C(NC(=O)CCCNC(=N)N)C(C)O)C(=O)O
InChI Key	PPBFBMCYXXZVHR-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives hydroxy fatty acids imines methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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