Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 04:32:51 UTC |
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Updated at | 2022-09-02 04:32:51 UTC |
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NP-MRD ID | NP0148752 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e)-n-[3-(5-{3-[(2e)-n,5-dihydroxy-3-methylpent-2-enamido]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-n,5-dihydroxy-3-methylpent-2-enamide |
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Description | Dimerum acid belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. It was first documented in 2013 (PMID: 23064341). Based on a literature review a significant number of articles have been published on Dimerum acid (PMID: 36049892) (PMID: 36049891) (PMID: 36049888) (PMID: 36049887) (PMID: 36049886) (PMID: 36049878). |
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Structure | C\C(CCO)=C/C(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)\C=C(/C)CCO)N=C1O InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+ |
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Synonyms | Value | Source |
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Dimerunic acid | MeSH |
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Chemical Formula | C22H36N4O8 |
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Average Mass | 484.5500 Da |
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Monoisotopic Mass | 484.25331 Da |
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IUPAC Name | (2E)-N-[3-(5-{3-[(2E)-N,5-dihydroxy-3-methylpent-2-enamido]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-N,5-dihydroxy-3-methylpent-2-enamide |
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Traditional Name | (2E)-N-[3-(5-{3-[(2E)-N,5-dihydroxy-3-methylpent-2-enamido]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-N,5-dihydroxy-3-methylpent-2-enamide |
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CAS Registry Number | Not Available |
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SMILES | C\C(CCO)=C/C(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)\C=C(/C)CCO)N=C1O |
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InChI Identifier | InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+ |
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InChI Key | MKDKGLNKTMDNHY-WXUKJITCSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
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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 | Alpha amino acids and derivatives |
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Alternative Parents | |
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Substituents | - Alpha-amino acid or derivatives
- Dioxopiperazine
- 2,5-dioxopiperazine
- 1,4-diazinane
- Piperazine
- Carboxamide group
- Hydroxamic acid
- Lactam
- Secondary carboxylic acid amide
- Azacycle
- Organoheterocyclic compound
- Organonitrogen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Organooxygen compound
- Primary alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | - Xiang R, Li M, Gu Z, Liu H, Zeng H, Peng J: Chronic endometritis positively correlates with the aggravation of intrauterine adhesions but has limited effects on reproductive prognosis with antibiotic application. Int J Gynaecol Obstet. 2022 Sep 1. doi: 10.1002/ijgo.14434. [PubMed:36049892 ]
- Li M, Yue C: Abnormal uterine artery Doppler ultrasound during gestational 21-23 weeks associated with preeclampsia. Int J Gynaecol Obstet. 2022 Sep 1. doi: 10.1002/ijgo.14435. [PubMed:36049891 ]
- Meyer R, Weisz B, Eilenberg R, Tsadok MA, Uziel M, Sivan E, Mazaki-Tovi S, Tsur A: Utilizing Machine Learning to Predict Unplanned Cesarean Delivery. Int J Gynaecol Obstet. 2022 Sep 1. doi: 10.1002/ijgo.14433. [PubMed:36049888 ]
- Crockett C, Lorimer C: OncoFlash - Research Updates in a Flash! (September Edition). Clin Oncol (R Coll Radiol). 2022 Sep;34(9):551-553. doi: 10.1016/j.clon.2022.07.009. [PubMed:36049887 ]
- Authors unspecified: Corrigendum. Low Urin Tract Symptoms. 2022 Sep;14(5):405. doi: 10.1111/luts.12458. [PubMed:36049886 ]
- Sharma R, Huang Y, Dizdarevic A: Blood Conservation Techniques and Strategies in Orthopedic Anesthesia Practice. Anesthesiol Clin. 2022 Sep;40(3):511-527. doi: 10.1016/j.anclin.2022.06.002. Epub 2022 Jul 12. [PubMed:36049878 ]
- Beermann M, Jonsdottir G, Cronisoe A, Hasselrot K, Kopp Kallner H: Long term follow-up of uterine fibroids treated with microwave ablation: an up to 3-year observational study of volume, regrowth, and symptoms. Int J Hyperthermia. 2022;39(1):1158-1163. doi: 10.1080/02656736.2022.2109764. [PubMed:36049885 ]
- Al-Dadah O, Hing C: Patellofemoral instability. Knee. 2022 Aug;37:A1-A2. doi: 10.1016/j.knee.2022.07.015. [PubMed:36049884 ]
- Lirk P, Vlassakov K: Orthopedic Anesthesiology 2022. Anesthesiol Clin. 2022 Sep;40(3):xv-xvi. doi: 10.1016/j.anclin.2022.08.002. [PubMed:36049883 ]
- Fleisher LA: Orthopedic Anesthesiology: A Constantly Evolving Area of Perioperative Care. Anesthesiol Clin. 2022 Sep;40(3):xiii-xiv. doi: 10.1016/j.anclin.2022.08.001. [PubMed:36049882 ]
- Pean C, Weaver MJ, Harris MB, Ly T, von Keudell AG: What Do Orthopedic Trauma Surgeons Want and Expect from Anesthesiologists? Anesthesiol Clin. 2022 Sep;40(3):547-556. doi: 10.1016/j.anclin.2022.06.004. [PubMed:36049881 ]
- Huang ZH, Liang X, Qi SH: A new iron(III) chelator of coprogen-type siderophore from the deep-sea-derived fungus Mycosphaerella sp. SCSIO z059. Chin J Nat Med. 2020 Apr;18(4):243-249. doi: 10.1016/S1875-5364(20)30029-7. [PubMed:32402399 ]
- Arias AA, Lambert S, Martinet L, Adam D, Tenconi E, Hayette MP, Ongena M, Rigali S: Growth of desferrioxamine-deficient Streptomyces mutants through xenosiderophore piracy of airborne fungal contaminations. FEMS Microbiol Ecol. 2015 Jul;91(7):fiv080. doi: 10.1093/femsec/fiv080. Epub 2015 Jul 15. [PubMed:26183915 ]
- Lehner SM, Atanasova L, Neumann NK, Krska R, Lemmens M, Druzhinina IS, Schuhmacher R: Isotope-assisted screening for iron-containing metabolites reveals a high degree of diversity among known and unknown siderophores produced by Trichoderma spp. Appl Environ Microbiol. 2013 Jan;79(1):18-31. doi: 10.1128/AEM.02339-12. Epub 2012 Oct 12. [PubMed:23064341 ]
- Vandepitte C, Van Pachtenbeke L, Van Herreweghe I, Gupta RK, Elkassabany NM: Same Day Joint Replacement Surgery: Patient Selection and Perioperative Management. Anesthesiol Clin. 2022 Sep;40(3):537-545. doi: 10.1016/j.anclin.2022.04.003. Epub 2022 Jul 12. [PubMed:36049880 ]
- Beloeil H: Opioid-Sparing Techniques in Orthopedic Anesthesia-One Step to Opioid-Free Anesthesia? Anesthesiol Clin. 2022 Sep;40(3):529-536. doi: 10.1016/j.anclin.2022.06.003. Epub 2022 Aug 6. [PubMed:36049879 ]
- Aguirre JA, Wolmarans M, Borgeat A: Acute Extremity Compartment Syndrome and (Regional): Anesthesia: The Monster Under the Bed. Anesthesiol Clin. 2022 Sep;40(3):491-509. doi: 10.1016/j.anclin.2022.06.001. Epub 2022 Aug 2. [PubMed:36049877 ]
- Alrayashi W, Cravero J, Brusseau R: Unique Issues Related to Regional Anesthesia in Pediatric Orthopedics. Anesthesiol Clin. 2022 Sep;40(3):481-489. doi: 10.1016/j.anclin.2022.05.001. Epub 2022 Jul 10. [PubMed:36049876 ]
- LOTUS database [Link]
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