Metabolomics Structure Database
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MW REGNO: | 37704 |
Common Name: | Presqualene diphosphate |
Systematic Name: | [({[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid |
RefMet Name: | Presqualene diphosphate |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C30H52O7P2 |
InChIKey: | ATZKAUGGNMSCCY-VYCBRMPGSA-N |
LIPID MAPS Category: | Prenol Lipids |
LIPID MAPS mainclass: | Isoprenoids |
LIPID MAPS subclass: | C30 isoprenoids |
SMILES: | C/C(/CC/C=C(\C)/CCC=C(C)C)=C\[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@]1(C)CC/C=C(\C)/CCC=C(C)C |
Studies: | Available studies (via RefMet name) |
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Human Pathway links:
REACTOME pathways containing this metabolite
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