Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:14 UTC |
---|
Update Date | 2025-03-21 18:35:02 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00103584 |
---|
Frequency | 26.2 |
---|
Structure | |
---|
Chemical Formula | C13H20N3O7P2S+ |
---|
Molecular Mass | 424.0492 |
---|
SMILES | Cc1ccc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 |
---|
InChI Key | JHNXLHRDUXBCJW-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 | 2-halopyridines4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary amines |
---|
Substituents | aromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic pyrophosphate4,5-disubstituted 1,3-thiazolepyridinephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
---|