| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:52 UTC |
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| Update Date | 2025-03-25 00:55:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O8 |
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| Molecular Mass | 334.1376 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OC1CNCCCC(=O)O |
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| InChI Key | PDCOVCYHZVRNKI-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidgamma amino acid or derivativesalpha-hydroxy acidfatty acidpyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalhydroxy fatty acidoxaneorganoheterocyclic compoundacetamidealcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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