| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:10 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O4PS+ |
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| Molecular Mass | 339.0563 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1ccccc1C#N |
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| InChI Key | JHGOPJMTDIJZNN-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesnitrilesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationcarbonitrileorganoheterocyclic compoundazoleazacycleheteroaromatic compoundbenzonitrile4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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