Record Information |
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Version | 2.0 |
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Created at | 2022-04-27 22:05:26 UTC |
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Updated at | 2022-04-27 22:05:26 UTC |
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NP-MRD ID | NP0050757 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Musca-aurin VII |
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Description | Musca-aurin VII, also known as muscaaurin VII, belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Musca-aurin VII is found in Amanita muscaria , Beta vulgaris and Opuntia ficus-indica . Based on a literature review very few articles have been published on Musca-aurin VII. |
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Structure | N[C@@H](CC1=C\[N+](=C/C=C2\C[C@H](NC(=C2)C(O)=O)C(O)=O)C=N1)C([O-])=O InChI=1S/C15H16N4O6/c16-10(13(20)21)5-9-6-19(7-17-9)2-1-8-3-11(14(22)23)18-12(4-8)15(24)25/h1-3,6-7,10,12H,4-5,16H2,(H3,20,21,22,23,24,25)/t10-,12-/m0/s1 |
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Synonyms | Value | Source |
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Muscaaurin VII | Kegg |
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Chemical Formula | C15H16N4O6 |
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Average Mass | 348.3150 Da |
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Monoisotopic Mass | 348.10698 Da |
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IUPAC Name | (1E)-4-[(2S)-2-amino-2-carboxyethyl]-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-1H-1lambda5-imidazol-1-ylium |
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Traditional Name | (1E)-4-[(2S)-2-amino-2-carboxyethyl]-1-{2-[(2S,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-1H-1lambda5-imidazol-1-ylium |
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CAS Registry Number | Not Available |
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SMILES | N[C@@H](CC1=C\[N+](=C/C=C2\C[C@H](NC(=C2)C(O)=O)C(O)=O)C=N1)C([O-])=O |
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InChI Identifier | InChI=1S/C15H16N4O6/c16-10(13(20)21)5-9-6-19(7-17-9)2-1-8-3-11(14(22)23)18-12(4-8)15(24)25/h1-3,6-7,10,12H,4-5,16H2,(H3,20,21,22,23,24,25)/t10-,12-/m0/s1 |
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InChI Key | OROLDOQHKPWCGQ-JQWIXIFHSA-N |
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Experimental Spectra |
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| Not Available | 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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Histidine and derivatives |
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Alternative Parents | |
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Substituents | - Histidine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Tricarboxylic acid or derivatives
- Dihydropyridine
- Aralkylamine
- Hydropyridine
- N-substituted imidazole
- Heteroaromatic compound
- Azole
- Imidazole
- Amino acid
- Carboxylic acid salt
- Ketimine
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organonitrogen compound
- Amine
- Primary aliphatic amine
- Organic oxide
- Imine
- Organic salt
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Primary amine
- Organopnictogen compound
- Organic zwitterion
- Carbonyl group
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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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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