DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:48 UTC
Update Date	2025-03-21 17:59:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023846
Frequency	164.2
Structure
Chemical Formula	C₁₁H₁₇N₄O₇P₂S+
Molecular Mass	411.0288
SMILES	Cc1ncc(C[n+]2csc(COP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChI Key	CZTOBZDPTGGSSW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organic oxoanionic compounds
Subclass	organic pyrophosphates
Direct Parent	organic pyrophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	4,5-disubstituted thiazoles azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates organic cations organic oxides organooxygen compounds organopnictogen compounds primary amines pyrimidines and pyrimidine derivatives
Substituents	aromatic heteromonocyclic compound pyrimidine organic oxide organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole azacycle heteroaromatic compound organic pyrophosphate 4,5-disubstituted 1,3-thiazole phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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