Metabolomics Structure Database

 
MW REGNO: 29084
Common Name:3-decaprenyl-4,5-dihydroxybenzoic acid
Systematic Name:3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4,5-dihydroxybenzoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
834.6526 (neutral)    Calculate m/z:
Formula:C57H86O4
InChIKey:HGWUGDIATLOPBN-BHZQGFRMSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Quinones and hydroquinones [PR02]
LIPID MAPS subclass:Ubiquinones [PR0201]
SMILES:CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Studies:-

Select appropriate tab below to view additional details:

External database links:

PubChem CID:25010746
LIPID MAPS ID:LMPR02010034
CHEBI ID:50775
HMDB ID:HMDB0060249
Plant Metabolite Hub(Pmhub):MS000250896

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

  logo