Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:05 UTC |
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Update Date | 2025-03-21 18:35:26 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105634 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C22H29N7O6 |
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Molecular Mass | 487.2179 |
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SMILES | CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)CCC(=O)O)cc1 |
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InChI Key | NYRBCWIZRJDMAI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | pteridines and derivatives |
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Subclass | pterins and derivatives |
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Direct Parent | pterins and derivatives |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | amino acidsamino fatty acidsazacyclic compoundsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesgamma amino acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamslactamsmedium-chain fatty acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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Substituents | fatty acylmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidgamma amino acid or derivativesbenzoylfatty acidpyrimidonecarboxylic acid derivativebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundmedium-chain fatty aciddialkylarylamineimidolactamtertiary aminevinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupamino fatty acidsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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