| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219741 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28N3O7PS+2 |
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| Molecular Mass | 461.1375 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1c[n+](CCCCC(N)C(=O)O)ccc1O |
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| InChI Key | UIIUCOOVIYBVEC-UHFFFAOYSA-P |
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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 derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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