| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:17 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N3O6P |
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| Molecular Mass | 341.0777 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)OP(=O)(O)O |
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| InChI Key | ATJNIQTYEGELCD-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 | peptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acyl glycinesacyl monophosphatesalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundsfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsphosphoethanolaminespyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupindolefatty amidealpha-amino acid or derivativesalpha peptidephosphoethanolamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidacyl monophosphateheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundacyl phosphate |
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