| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:36 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200355 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21N3O9 |
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| Molecular Mass | 351.1278 |
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| SMILES | N=C(NC(CC(=O)O)C(=O)O)NC1OC(CO)C(CO)C(O)C1O |
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| InChI Key | XGXPVQOBBGVLIW-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidinesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsiminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidguanidineiminemonosaccharidefatty acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholcarboximidamideoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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