Metabolomics Structure Database

 
MW REGNO: 47051
Common Name:Prolycopene
Systematic Name:(6E,8Z,10Z,12E,14E,16E,18E,20E,22Z,24Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Synonyms: [PubChem Synonyms]
Exact Mass:
536.4382 (neutral)    Calculate m/z:
Formula:C40H56
InChIKey:OAIJSZIZWZSQBC-BYUNHUQQSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
SMILES:CC(=CCC/C(=C/C=C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C/C=C(\C)/CCC=C(C)C)/C)\C)/C)C
Studies:-

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External database links:

PubChem CID:10918539
LIPID MAPS ID:LMPR01070403
CHEBI ID:62466
HMDB ID:HMDB0035776
KEGG ID:C15858
Chemspider ID:9093791
MetaCyc ID:CPD-7496

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

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