| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:27 UTC |
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| Update Date | 2025-03-21 18:30:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082454 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C12H19N2O7P |
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| Molecular Mass | 334.093 |
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| SMILES | NC(CCCCn1c(C=O)ccc1COP(=O)(O)O)C(=O)O |
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| InChI Key | SGPBKSZLGBOYAU-UHFFFAOYSA-N |
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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 | aryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundaldehydemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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