| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:12 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190359 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O3 |
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| Molecular Mass | 202.1317 |
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| SMILES | CC(=NC(O)C(C)C)C(N)CC(=O)O |
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| InChI Key | FIKHWWHQPQTMPK-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidshort-chain hydroxy acidiminefatty acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalkanolaminemethyl-branched fatty acidorganic 1,3-dipolar compoundbranched fatty acidbeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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