| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:32 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197835 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O5 |
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| Molecular Mass | 275.1481 |
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| SMILES | CCC(C)C(NC(=N)NOCCCC(=O)O)C(=O)O |
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| InChI Key | PFTPIVOCUSOALS-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 | isoleucine 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 acidsorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidguanidineiminefatty acidcarboximidamidebranched fatty acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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