| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:26 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152126 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13N2O6P |
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| Molecular Mass | 264.0511 |
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| SMILES | NC(COP(=O)(O)O)Cn1cccc1C(=O)O |
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| InChI Key | NNTGOAQAOMALTL-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 | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | phosphoethanolamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativephosphoethanolamineorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundmonoalkyl phosphatepyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkyl phosphateorganooxygen compound |
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