| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:48 UTC |
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| Update Date | 2025-03-21 18:06:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064061 |
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| Frequency | 58.2 |
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| Structure | |
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| Chemical Formula | C9H17N3O4 |
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| Molecular Mass | 231.1219 |
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| SMILES | CN(C)C(N)=NCCCC(=O)C(O)C(=O)O |
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| InChI Key | PJRVVPRNBRXRIZ-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboximidamidescarboxylic acidsfatty acylsguanidineshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidguanidinealpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidpropargyl-type 1,3-dipolar organic compoundketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholorganic 1,3-dipolar compoundcarboximidamidehydroxy acidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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