| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:31 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N5O5PS+ |
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| Molecular Mass | 430.1309 |
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| SMILES | CC(=O)NCCOP(=O)(O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C |
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| InChI Key | CLLPDBYDPOGVPQ-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 thiazolesacetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganopnictogen compoundsphosphoethanolaminesprimary aminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativephosphoethanolamineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamacetamidethiamine-phosphateazoleazacycleheteroaromatic compoundcarboxamide group4,5-disubstituted 1,3-thiazolesecondary carboxylic acid amidedialkyl phosphateorganic oxygen compoundphosphoric acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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