| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:37 UTC |
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| Update Date | 2025-03-25 00:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N6O2 |
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| Molecular Mass | 282.1804 |
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| SMILES | N=C(N)NCCc1cn(CCCCC(N)C(=O)O)cn1 |
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| InChI Key | DVJDTJSGXBTMTK-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 heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsguanidinesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidguanidineiminefatty acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundcarboximidamideamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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