| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:56:01 UTC |
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| Update Date | 2025-03-21 18:04:48 UTC |
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| HMDB ID | HMDB0040248 |
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| Metabolite Identification |
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| DeepMet ID | DMID00052824 |
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| Name | (S,S)-Nt-Histidinylalanine |
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| Frequency | 61.5 |
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| Structure | |
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| Chemical Formula | C9H14N4O4 |
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| Molecular Mass | 242.1015 |
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| SMILES | NC(Cc1cn(CC(N)C(=O)O)cn1)C(=O)O |
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| InChI Key | IZQGEZGZCIIKOP-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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