Summary of Study ST002795
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001743. The data can be accessed directly via it's Project DOI: 10.21228/M8DH7F This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST002795 |
| Study Title | Functional divergence of CYP76AKs shapes the chemodiversity of abietane-type diterpenoids in genus Salvia |
| Study Summary | The genus Salvia L. (Lamiaceae) comprises myriad distinct medicinal herbs, with terpenoids as one of their major active chemical groups. Abietane-type diterpenoids (ATDs), such as tanshinones and carnosic acids, are specific to Salvia and exhibit taxonomic chemical diversity among lineages. To elucidate how ATD chemical diversity evolved, we carried out large-scale metabolic and phylogenetic analyses of 71 Salvia species, combined with enzyme function, ancestral sequence and chemical trait reconstruction, and comparative genomics experiments. This integrated approach showed that the lineage-wide ATD diversities in Salvia were induced by differences in the oxidation of the terpenoid skeleton at C-20, which was caused by the functional divergence of the cytochrome P450 subfamily CYP76AK. These findings present a unique pattern of chemical diversity in plants that was shaped by the loss of enzyme activity and associated catalytic pathways. |
| Institute | Shanghai University of Traditional Chinese Medicine |
| Last Name | Chen |
| First Name | Wansheng |
| Address | NO. 1200 Cailun Road |
| chenwansheng@shutcm.edu.cn | |
| Phone | 02151322405 |
| Submit Date | 2023-07-16 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-08-15 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004547 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | Waters Acquity |
| Column | Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) |
| MS Type | ESI |
| MS instrument type | QTOF |
| MS instrument name | Waters Xevo-G2-XS |
| Ion Mode | UNSPECIFIED |
| Units | Normalized peak height |
Chromatography:
| Chromatography ID: | CH003416 |
| Instrument Name: | Waters Acquity |
| Column Name: | Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) |
| Column Temperature: | 40 °C |
| Flow Gradient: | The elution gradients were 98–80% A over 0–7 min, 80–78% A over 7–11 min, 78–40% A over 11–20 min, 40–35% A over 20–25 min, 25–28 min at 35% A, 35–5% A over 28–30 min, 30–33 min at 5% A, and final re-equilibration at 98% A for 5 min. |
| Flow Rate: | 0.40 mL/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
