| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:28 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184069 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H33N3O13P+ |
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| Molecular Mass | 554.1746 |
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| SMILES | NC(CCCC[n+]1cc(O)c(CC(N)C(=O)O)c(C2OC(COP(=O)(O)O)C(O)C(O)C2O)c1)C(=O)O |
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| InChI Key | UUTLFNBYJKTQPU-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | hexose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy aciddialkyl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationoxaneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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