Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-10 23:33:28 UTC |
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Update Date | 2021-09-26 22:55:41 UTC |
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HMDB ID | HMDB0246541 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 4-Nitrophenyl diphenylphosphinate |
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Description | 4-Nitrophenyl diphenylphosphinate, also known as 4-nitrophenyl-DPP, belongs to the class of organic compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. Based on a literature review very few articles have been published on 4-Nitrophenyl diphenylphosphinate. This compound has been identified in human blood as reported by (PMID: 31557052 ). 4-nitrophenyl diphenylphosphinate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 4-Nitrophenyl diphenylphosphinate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | [O-][N+](=O)C1=CC=C(OP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1 InChI=1S/C18H14NO4P/c20-19(21)15-11-13-16(14-12-15)23-24(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H |
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Synonyms | Value | Source |
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4-Nitrophenyl diphenylphosphinic acid | Generator | 4-Nitrophenyl-DPP | HMDB | O-4-(Nitrophenyl)diphenyl phosphinate | HMDB |
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Chemical Formula | C18H14NO4P |
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Average Molecular Weight | 339.287 |
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Monoisotopic Molecular Weight | 339.066044933 |
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IUPAC Name | 4-nitrophenyl diphenylphosphinate |
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Traditional Name | 4-nitrophenyl diphenylphosphinate |
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CAS Registry Number | Not Available |
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SMILES | [O-][N+](=O)C1=CC=C(OP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1 |
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InChI Identifier | InChI=1S/C18H14NO4P/c20-19(21)15-11-13-16(14-12-15)23-24(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H |
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InChI Key | DQBVHFNRUKVDBD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Nitrobenzenes |
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Direct Parent | Nitrobenzenes |
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Alternative Parents | |
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Substituents | - Nitrobenzene
- Phenoxy compound
- Nitroaromatic compound
- C-nitro compound
- Organic nitro compound
- Organic oxoazanium
- Allyl-type 1,3-dipolar organic compound
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organophosphorus compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized | Show more...
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