Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 18:25:52 UTC |
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Updated at | 2021-08-12 19:51:43 UTC |
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NP-MRD ID | NP0002641 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1-Amino-1-phenylmethyl)phosphonic acid |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | It was first documented in 2002 (PMID: 28267306). Based on a literature review very few articles have been published on [(R)-amino(phenyl)methyl]phosphonic acid (PMID: 17984079) (PMID: 26389440) (PMID: 26389428) (PMID: 26389376). |
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Structure | [H]OP(=O)(O[H])[C@@]([H])(N([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H] InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/t7-/m1/s1 |
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Synonyms | Value | Source |
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[(R)-Amino(phenyl)methyl]phosphonate | Generator |
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Chemical Formula | C7H10NO3P |
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Average Mass | 187.1350 Da |
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Monoisotopic Mass | 187.03983 Da |
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IUPAC Name | [(R)-amino(phenyl)methyl]phosphonic acid |
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Traditional Name | (R)-amino(phenyl)methylphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]OP(=O)(O[H])[C@@]([H])(N([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H] |
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InChI Identifier | InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/t7-/m1/s1 |
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InChI Key | ZKFNOUUKULVDOB-SSDOTTSWSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Authors unspecified: Medicinal Mushrooms (PDQ(R)): Patient Version. 2002. [PubMed:28267306 ]
- Authors unspecified: Nutrition in Cancer Care (PDQ(R)): Patient Version. 2002. [PubMed:26389440 ]
- Authors unspecified: Lung Cancer Screening (PDQ(R)): Patient Version. 2002. [PubMed:26389428 ]
- Authors unspecified: Colorectal Cancer Prevention (PDQ(R)): Patient Version. 2002. [PubMed:26389376 ]
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