Metabolomics Structure Database
|
MW REGNO: | 28511 |
Common Name: | Dehydroabietic acid |
Systematic Name: | (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
RefMet Name: | Dehydroabietic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C20H28O2 |
InChIKey: | NFWKVWVWBFBAOV-MISYRCLQSA-N |
LIPID MAPS Category: | Prenol Lipids [PR] |
LIPID MAPS mainclass: | Isoprenoids [PR01] |
LIPID MAPS subclass: | C20 isoprenoids (diterpenes) [PR0104] |
LIPID MAPS level4class: | Abietane diterpenoids [LMPR010405] |
Massbank MS spectra: | View MS spectra |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | CC(C)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)c1 |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 94391 |
LIPID MAPS ID: | LMPR0104050005 |
CHEBI ID: | 29571 |
HMDB ID: | HMDB0061925 |
KEGG ID: | C12078 |
NP-MRD ID(NMR): | NP0032641 |
EPA CompTox DB: | DTXCID10202932 |
Marine Natural Products DB: | CMNPD27791 |
Plant Metabolite Hub(Pmhub): | MS000011559 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y