LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate)

Systematic Name

Fucoxanthinol 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate)

Synonyms

FOH-3-C22:6
FOH22:6

LM ID

LMPR01070319

Formula

C₆₂H₈₆O₆

Exact Mass

Calculate m/z

926.64244

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dreissena rostriformis bugensis (#427924)

Bivalvia (#6544)

Separation and identification of fatty acid esters of algal carotenoid metabolites in the freshwater mussel Dreissena bugensis, by liquid chromatography with ultraviolet/visible wavelength and mass spectrometric detectors in series.,
J Chromatogr A, 2017

Pubmed ID: 28750733

String Representations

InChiKey (Click to copy)

SJEFWQNMNOHTJT-HPGKJACDSA-N

InChi (Click to copy)

InChI=1S/C62H86O6/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-41-57(65)67-54-46-59(8,9)62(61(11,47-54)68-62)48-55(64)52(5)40-34-39-50(3)36-32-31-35-49(2)37-33-38-51(4)42-43-56-58(6,7)44-53(63)45-60(56,10)66/h13-14,16-17,19-20,22-23,25-26,28-29,31-40,42,53-54,63,66H,12,15,18,21,24,27,30,41,44-48H2,1-11H3/b14-13-,17-16-,20-19-,23-22-,26-25-,29-28-,32-31+,37-33+,39-34+,49-35+,50-36+,51-38+,52-40+/t43-,53-,54-,60+,61+,62-/m0/s1

SMILES (Click to copy)

[C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=[C@@]=C3[C@@](O)(C)C[C@@H](O)CC3(C)C)O[C@]1(C)C[C@@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CC2(C)C