| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:24 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106435 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C10H18N2O6PS+ |
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| Molecular Mass | 325.0618 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1CCC(N)C(=O)O |
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| InChI Key | MGXBDOREWKZKSP-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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