| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:37 UTC |
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| Update Date | 2025-03-25 00:54:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N4O5 |
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| Molecular Mass | 262.1277 |
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| SMILES | CC(NC(=N)NOCCC(C)(N)C(=O)O)C(=O)O |
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| InChI Key | KMUSUFFYNYBITE-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmethyl-branched fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidcarboximidamidebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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