| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:11 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201671 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO5PS+ |
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| Molecular Mass | 328.0403 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1C(=O)c1ccccc1 |
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| InChI Key | GVCBQUIDTZNDRI-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzoylbenzoic acid or derivatives4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compoundazole |
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