| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:38 UTC |
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| Update Date | 2025-03-25 00:51:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H29N9O7 |
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| Molecular Mass | 483.219 |
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| SMILES | NC(N)=NCCCC(NC(=O)C(N)CC(=O)O)C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)O |
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| InChI Key | SMGCPFCBVXWCNW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidinesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspeptidespropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidinefatty amidealpha-amino acid or derivativescarboxylic acid derivativealpha peptidepropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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