| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H25ClN6O2 |
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| Molecular Mass | 380.1728 |
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| SMILES | N=C(NCCCCN1CCCC1C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | CWTLUBOLTNSJOL-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha amino acidsamino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganochloridesorganopnictogen compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidguanidineimineorganochlorideorganohalogen compoundorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compound1-arylbiguanidepyrrolidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzeneproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboximidamidearyl halidearylbiguanidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneamineorganooxygen compound |
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