DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:53 UTC
Update Date	2025-03-25 00:51:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185027
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₁₀O
Molecular Mass	362.2291
SMILES	N=C(N)NCCCCN1CCN(C2=Nc3c([nH]c(N)nc3=O)NC2)CC1
InChI Key	VMEHMFKMCZQNIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amidines azacyclic compounds carboximidamides guanidines heteroaromatic compounds hydrocarbon derivatives imidolactams imines n-alkylpiperazines organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines trialkylamines vinylogous amides
Substituents	guanidine imine pyrimidone amidine pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide piperazine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam tertiary amine vinylogous amide pterin azacycle n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine organic 1,3-dipolar compound carboximidamide secondary amine secondary aliphatic/aromatic amine organic oxygen compound 1,4-diazinane hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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