| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:03 UTC |
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| Update Date | 2025-03-25 01:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO4PS+ |
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| Molecular Mass | 356.108 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1cccc(C(C)C)c1 |
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| InChI Key | HOPAAKYAUYPJAL-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolephenylpropaneorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundcumenehydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compoundazole |
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