| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:52 UTC |
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| Update Date | 2025-03-25 00:49:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26N2O7 |
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| Molecular Mass | 322.174 |
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| SMILES | COC1C(O)OC(CNCCCCC(N)C(=O)O)C(O)C1O |
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| InChI Key | FRBPTYOZSVRGCP-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkyl ethersdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidamino acidheterocyclic fatty acidmonosaccharidefatty acidmedium-chain hydroxy aciddialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminesecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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