| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:30 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N4O6 |
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| Molecular Mass | 330.1539 |
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| SMILES | N=C(NCCCC(N)C(=O)O)NC1C=C(C(=O)O)CC(O)C1O |
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| InChI Key | YRSQSYVRYYYFSY-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 | arginine and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidscarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acylsguanidineshydrocarbon derivativeshydroxy fatty acidsiminesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineimineorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholcarboximidamideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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