| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:03 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N2O6P |
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| Molecular Mass | 328.0824 |
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| SMILES | O=C(O)C(Cc1c[nH]c2ccccc12)NCCOP(=O)(O)O |
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| InChI Key | NEPGKTXLESIEEH-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphosphoethanolaminespyrroles |
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| Substituents | carbonyl groupcarboxylic acidamino acidindolephosphoethanolamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundamine |
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