| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:33 UTC |
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| Update Date | 2025-03-21 18:40:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128373 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C12H24N4O6 |
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| Molecular Mass | 320.1696 |
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| SMILES | CN(C(N)=NCCCC(N)C(=O)O)C1OC(CO)C(O)C1O |
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| InChI Key | XPACDSWLXZALNQ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidamidescarboxylic acidsguanidinesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidguanidinemonosaccharidefatty acidpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranorganic 1,3-dipolar compoundcarboximidamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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