| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:41 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184574 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O8PS+ |
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| Molecular Mass | 383.0672 |
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| SMILES | NC(CCCc1c(CCOP(=O)(O)O)sc[n+]1CC(=O)O)C(=O)O |
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| InChI Key | RWDAQDBBDAMYHR-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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