Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 21:46:32 UTC |
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Updated at | 2022-09-11 21:46:32 UTC |
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NP-MRD ID | NP0320236 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3s)-3-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-3-{[(1s)-1-{[(1s)-1-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}propanoic acid |
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Description | Rubellidin 1.1 Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. (3s)-3-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-3-{[(1s)-1-{[(1s)-1-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}propanoic acid is found in Litoria rubella. It was first documented in 2022 (PMID: 36127128). Based on a literature review a significant number of articles have been published on Rubellidin 1.1 (PMID: 36127117) (PMID: 36127096) (PMID: 36127077) (PMID: 36127075). |
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Structure | CC(C)[C@H](N)C(O)=N[C@@H](CC(O)=O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](C)C(O)=O InChI=1S/C30H39N5O8/c1-17(2)25(31)29(41)35-23(16-24(36)37)28(40)34-22(15-20-12-8-5-9-13-20)27(39)33-21(14-19-10-6-4-7-11-19)26(38)32-18(3)30(42)43/h4-13,17-18,21-23,25H,14-16,31H2,1-3H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)(H,42,43)/t18-,21-,22-,23-,25-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H39N5O8 |
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Average Mass | 597.6690 Da |
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Monoisotopic Mass | 597.27986 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC(C)[C@H](N)C(O)=N[C@@H](CC(O)=O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](C)C(O)=O |
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InChI Identifier | InChI=1S/C30H39N5O8/c1-17(2)25(31)29(41)35-23(16-24(36)37)28(40)34-22(15-20-12-8-5-9-13-20)27(39)33-21(14-19-10-6-4-7-11-19)26(38)32-18(3)30(42)43/h4-13,17-18,21-23,25H,14-16,31H2,1-3H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)(H,42,43)/t18-,21-,22-,23-,25-/m0/s1 |
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InChI Key | SGZPJMYSPUDTGE-UVCZDWALSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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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 | Oligopeptides |
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Alternative Parents | |
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Substituents | - Alpha-oligopeptide
- Phenylalanine or derivatives
- Aspartic acid or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-l-alpha-amino acid
- Valine or derivatives
- Alpha-amino acid amide
- Alanine or derivatives
- Amphetamine or derivatives
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Fatty acyl
- Benzenoid
- Monocyclic benzene moiety
- Fatty amide
- Dicarboxylic acid or derivatives
- N-acyl-amine
- Amino acid
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid
- Organic nitrogen compound
- Primary aliphatic amine
- Organonitrogen compound
- Carbonyl group
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Amine
- Organic oxide
- 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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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 | - Herasevich S, Frank RD, Hogan WJ, Alkhateeb H, Limper AH, Gajic O, Yadav H: Post-Transplant and In-Hospital Risk Factors for ARDS After Hematopoietic Stem Cell Transplantation. Respir Care. 2022 Sep 20. pii: respcare.10224. doi: 10.4187/respcare.10224. [PubMed:36127128 ]
- Zinglersen AH, Drange IL, Myhr KA, Fuchs A, Pfeiffer-Jensen M, Brock C, Jacobsen S: Vagus nerve stimulation as a novel treatment for systemic lupus erythematous: study protocol for a randomised, parallel-group, sham-controlled investigator-initiated clinical trial, the SLE-VNS study. BMJ Open. 2022 Sep 20;12(9):e064552. doi: 10.1136/bmjopen-2022-064552. [PubMed:36127117 ]
- Jacobsen JS, Thorborg K, Nielsen RO, Jakobsen SS, Foldager C, Sorensen D, Oestergaard LG, van Tulder MW, Mechlenburg I: Comparing exercise and patient education with usual care in the treatment of hip dysplasia: a protocol for a randomised controlled trial with 6-month follow-up (MovetheHip trial). BMJ Open. 2022 Sep 20;12(9):e064242. doi: 10.1136/bmjopen-2022-064242. [PubMed:36127096 ]
- Vlake JH, van Bommel J, Wils EJ, Korevaar TI, Taccone F, Schut AF, Elderman JH, Labout JA, Raben AM, Dijkstra A, Achterberg S, Jurriens AL, Van Mol MM, Gommers D, Van Genderen ME: Effect of intensive care unit-specific virtual reality (ICU-VR) to improve psychological well-being in ICU survivors: study protocol for an international, multicentre, randomised controlled trial-the HORIZON-IC study. BMJ Open. 2022 Sep 20;12(9):e061876. doi: 10.1136/bmjopen-2022-061876. [PubMed:36127077 ]
- Suthutvoravut U, Anothaisintawee T, Boonmanunt S, Pramyothin S, Chaithanasarn A, Reutrakul S, Thakkinstian A: Efficacy of time-restricted eating and behavioural economic interventions in reducing fasting plasma glucose, HbA1c and cardiometabolic risk factors compared with time-restricted eating alone or usual care in patients with impaired fasting glucose: protocol for an open-label randomised controlled trial. BMJ Open. 2022 Sep 20;12(9):e058954. doi: 10.1136/bmjopen-2021-058954. [PubMed:36127075 ]
- LOTUS database [Link]
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