| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:15 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206360 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27N7O4 |
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| Molecular Mass | 393.2125 |
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| SMILES | NC(CCCCCn1nccc2nc(NCCCC(N)C(=O)O)nc1-2)C(=O)O |
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| InChI Key | MKWAVUKEHJOVBL-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspyridazines and derivativessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazoleazacycleheteroaromatic compoundsecondary amineamino fatty acidsecondary aliphatic/aromatic amineorganic oxygen compoundpyridazinedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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