DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:43 UTC
Update Date	2025-03-25 00:46:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152800
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅ClN₆O₂
Molecular Mass	368.1728
SMILES	N=C(NCCCCNCCCC(=O)O)NC(=N)Nc1ccc(Cl)cc1
InChI Key	BPHOQGCMWKZQSW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic nitrogen compounds
Class	organonitrogen compounds
Subclass	guanidines
Direct Parent	1-arylbiguanides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids aryl chlorides carbonyl compounds carboximidamides carboxylic acids chlorobenzenes dialkylamines gamma amino acids and derivatives hydrocarbon derivatives imines monocarboxylic acids and derivatives organic oxides organochlorides organopnictogen compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives imine organochloride carboxylic acid derivative organohalogen compound organic oxide organopnictogen compound 1-arylbiguanide aryl chloride chlorobenzene secondary aliphatic amine carboximidamide secondary amine aryl halide aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid halobenzene organooxygen compound amine

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