Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-06 23:50:16 UTC |
---|
Updated at | 2022-09-06 23:50:16 UTC |
---|
NP-MRD ID | NP0240104 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | [(5-{[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-8-yl]oxy}-1,3-dihydroxy-3-methyl-5-oxopentylidene)amino]acetic acid |
---|
Description | 2-[(5-{[14-(5,6-Dihydroxy-6-methylheptan-2-yl)-5,16-dihydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(10)-en-4-yl]oxy}-1,3-dihydroxy-3-methyl-5-oxopentylidene)amino]acetic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. [(5-{[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-8-yl]oxy}-1,3-dihydroxy-3-methyl-5-oxopentylidene)amino]acetic acid is found in Hypholoma fasciculare. It was first documented in 2022 (PMID: 36088123). Based on a literature review a significant number of articles have been published on 2-[(5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5,16-dihydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(10)-en-4-yl]oxy}-1,3-dihydroxy-3-methyl-5-oxopentylidene)amino]acetic acid (PMID: 36088122) (PMID: 36088121) (PMID: 36088120) (PMID: 36088119) (PMID: 36088110) (PMID: 36088109). |
---|
Structure | CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=NCC(O)=O)C(O)C(C)(C)C1CC3 InChI=1S/C38H63NO10/c1-21(10-13-27(40)34(4,5)47)22-14-15-37(8)23-11-12-26-33(2,3)32(46)25(17-36(26,7)24(23)16-28(41)38(22,37)9)49-31(45)19-35(6,48)18-29(42)39-20-30(43)44/h21-22,25-28,32,40-41,46-48H,10-20H2,1-9H3,(H,39,42)(H,43,44) |
---|
Synonyms | Value | Source |
---|
2-[(5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5,16-dihydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0,.0,]heptadec-1(10)-en-4-yl]oxy}-1,3-dihydroxy-3-methyl-5-oxopentylidene)amino]acetate | Generator |
|
---|
Chemical Formula | C38H63NO10 |
---|
Average Mass | 693.9190 Da |
---|
Monoisotopic Mass | 693.44520 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=NCC(O)=O)C(O)C(C)(C)C1CC3 |
---|
InChI Identifier | InChI=1S/C38H63NO10/c1-21(10-13-27(40)34(4,5)47)22-14-15-37(8)23-11-12-26-33(2,3)32(46)25(17-36(26,7)24(23)16-28(41)38(22,37)9)49-31(45)19-35(6,48)18-29(42)39-20-30(43)44/h21-22,25-28,32,40-41,46-48H,10-20H2,1-9H3,(H,39,42)(H,43,44) |
---|
InChI Key | LILVUFKXDGZLEC-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
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 |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Triterpenoids |
---|
Direct Parent | Triterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Triterpenoid
- Tetrahydroxy bile acid, alcohol, or derivatives
- 25-hydroxysteroid
- 24-hydroxysteroid
- Hydroxy bile acid, alcohol, or derivatives
- Bile acid, alcohol, or derivatives
- Steroid ester
- 12-hydroxysteroid
- 3-hydroxysteroid
- Hydroxysteroid
- Steroid
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid or derivatives
- Fatty acyl
- Dicarboxylic acid or derivatives
- N-acyl-amine
- Fatty amide
- Cyclic alcohol
- Tertiary alcohol
- Secondary alcohol
- Secondary carboxylic acid amide
- Carboxylic acid ester
- Carboxamide group
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic nitrogen compound
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Xu X, Rothrock MJ Jr, Reeves J, Kumar GD, Mishra A: Using E. coli population to predict foodborne pathogens in pastured poultry farms. Food Microbiol. 2022 Dec;108:104092. doi: 10.1016/j.fm.2022.104092. Epub 2022 Jul 14. [PubMed:36088123 ]
- Lanzl MI, Zwietering MH, Abee T, den Besten HMW: Combining enrichment with multiplex real-time PCR leads to faster detection and identification of Campylobacter spp. in food compared to ISO 10272-1:2017. Food Microbiol. 2022 Dec;108:104117. doi: 10.1016/j.fm.2022.104117. Epub 2022 Aug 19. [PubMed:36088122 ]
- Cacciatore FA, Maders C, Alexandre B, Barreto Pinilla CM, Brandelli A, da Silva Malheiros P: Carvacrol encapsulation into nanoparticles produced from chia and flaxseed mucilage: Characterization, stability and antimicrobial activity against Salmonella and Listeria monocytogenes. Food Microbiol. 2022 Dec;108:104116. doi: 10.1016/j.fm.2022.104116. Epub 2022 Aug 18. [PubMed:36088121 ]
- Liu X, Li Y, Micallef SA: Developmentally related and drought-induced shifts in the kale metabolome limited Salmonella enterica association, providing novel insights to enhance food safety. Food Microbiol. 2022 Dec;108:104113. doi: 10.1016/j.fm.2022.104113. Epub 2022 Aug 18. [PubMed:36088120 ]
- Dos Santos AMP, Panzenhagen P, Ferrari RG, Conte-Junior CA: Large-scale genomic analysis reveals the pESI-like megaplasmid presence in Salmonella Agona, Muenchen, Schwarzengrund, and Senftenberg. Food Microbiol. 2022 Dec;108:104112. doi: 10.1016/j.fm.2022.104112. Epub 2022 Aug 12. [PubMed:36088119 ]
- Soare C, Mazeri S, McAteer S, McNeilly TN, Seguino A, Chase-Topping M: The microbial condition of Scottish wild deer carcasses collected for human consumption and the hygiene risk factors associated with Escherichia coli and total coliforms contamination. Food Microbiol. 2022 Dec;108:104102. doi: 10.1016/j.fm.2022.104102. Epub 2022 Aug 7. [PubMed:36088110 ]
- Zhao Y, Liu S, Han X, Zhou Z, Mao J: Combined effects of fermentation temperature and Saccharomyces cerevisiae strains on free amino acids, flavor substances, and undesirable secondary metabolites in huangjiu fermentation. Food Microbiol. 2022 Dec;108:104091. doi: 10.1016/j.fm.2022.104091. Epub 2022 Jul 12. [PubMed:36088109 ]
- Centeno JA, Lorenzo JM, Carballo J: Effects of autochthonous Kluyveromyces lactis and commercial Enterococcus faecium adjunct cultures on the volatile profile and the sensory characteristics of short-ripened acid-curd Cebreiro cheese. Food Microbiol. 2022 Dec;108:104101. doi: 10.1016/j.fm.2022.104101. Epub 2022 Aug 1. [PubMed:36088116 ]
- Liu MK, Liu CY, Tian XH, Feng J, Guo XJ, Liu Y, Zhang XY, Tang YM: Bioremediation of degraded pit mud by indigenous microbes for Baijiu production. Food Microbiol. 2022 Dec;108:104096. doi: 10.1016/j.fm.2022.104096. Epub 2022 Aug 4. [PubMed:36088112 ]
- Chen J, Yang R, Wang Y, Koseki S, Fu L, Wang Y: Inhibitory effect of d-Tryptophan on the spoilage potential of Shewanella baltica and Pseudomonas fluorescens and its potential application in salmon fillet preservation. Food Microbiol. 2022 Dec;108:104104. doi: 10.1016/j.fm.2022.104104. Epub 2022 Aug 9. [PubMed:36088118 ]
- Wicaksono WA, Buko A, Kusstatscher P, Sinkkonen A, Laitinen OH, Virtanen SM, Hyoty H, Cernava T, Berg G: Modulation of the food microbiome by apple fruit processing. Food Microbiol. 2022 Dec;108:104103. doi: 10.1016/j.fm.2022.104103. Epub 2022 Aug 4. [PubMed:36088117 ]
- Jyung S, Kang JW, Kang DH: L. monocytogens exhibited less cell membrane damage, lipid peroxidation, and intracellular reactive oxygen species accumulation after plasma-activated water treatment compared to E. coli O157:H7 and S. Typhimurium. Food Microbiol. 2022 Dec;108:104098. doi: 10.1016/j.fm.2022.104098. Epub 2022 Jul 30. [PubMed:36088114 ]
- Parafati L, Restuccia C, Cirvilleri G: Efficacy and mechanism of action of food isolated yeasts in the control of Aspergillus flavus growth on pistachio nuts. Food Microbiol. 2022 Dec;108:104100. doi: 10.1016/j.fm.2022.104100. Epub 2022 Aug 6. [PubMed:36088115 ]
- Tofalo R, Perpetuini G, Rossetti AP, Gaggiotti S, Piva A, Olivastri L, Cichelli A, Compagnone D, Arfelli G: Impact of Saccharomyces cerevisiae and non-Saccharomyces yeasts to improve traditional sparkling wines production. Food Microbiol. 2022 Dec;108:104097. doi: 10.1016/j.fm.2022.104097. Epub 2022 Jul 20. [PubMed:36088113 ]
- Taibi A, Diop A, Leneveu-Jenvrin C, Broussolle V, Lortal S, Meot JM, Soria C, Chillet M, Lechaudel M, Minier J, Constancias F, Remize F, Meile JC: Dynamics of bacterial and fungal communities of mango: From the tree to ready-to-Eat products. Food Microbiol. 2022 Dec;108:104095. doi: 10.1016/j.fm.2022.104095. Epub 2022 Jul 18. [PubMed:36088111 ]
- LOTUS database [Link]
|
---|