| 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 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N6O7PS+ |
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| Molecular Mass | 491.1472 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1c(N)nc(=O)n(CCCCC(N)C(=O)O)c1N |
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| InChI Key | SSMJLKPEUSRFKR-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | thiamine phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundspyrimidones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidfatty acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationimidolactamthiamine-phosphateazolecarbonic acid derivativeazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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