| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:40:31 UTC |
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| Update Date | 2025-03-24 22:10:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02015830 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C17H31N3O28P6 |
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| Molecular Mass | 910.952 |
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| SMILES | CC(=O)NC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | VPXLWVDICKQAGY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclitols and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatepyrimidonecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcyclitol or derivativescarboxamide grouporganic pyrophosphateoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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