| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:19 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151877 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N4O7 |
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| Molecular Mass | 388.1958 |
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| SMILES | NC(CCCCNC(=O)C1CC(O)CN1C(=O)C(N)CCC(=O)O)C(=O)O |
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| InChI Key | DMJKBKLPBXMGOE-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidn-acylpyrrolidinefatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholalpha-amino acid amideazacyclecarboxamide groupamino fatty acidalpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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