| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:25 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N2O7P |
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| Molecular Mass | 396.1086 |
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| SMILES | Cc1ncc(COP(=O)(O)O)c(CNc2ccc(CCC(=O)O)cc2)c1O |
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| InChI Key | NOPWKQZJHBIIJB-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 | pyridines and derivatives |
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| Subclass | pyridoxamines |
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| Direct Parent | pyridoxamine 5'-phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesphenylpropanoic acidspolyhalopyridinessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminepyridoxamine 5'-phosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatephenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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