DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:41 UTC
Update Date	2025-03-25 00:54:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209766
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₂N₆O₄
Molecular Mass	302.1703
SMILES	CC(CNC(=N)NC(=N)NCCCC(N)C(=O)O)C(=O)O
InChI Key	MBNRRIIIYXOOSE-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	arginine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives biguanides branched fatty acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives imines monoalkylamines organic oxides organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty acid organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound carboximidamide branched fatty acid beta amino acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound biguanide organooxygen compound

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