LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-(13Z,16Z-docosadienoate)

Systematic Name

Fucoxanthinol 3-(13Z,16Z-docosadienoate)

Synonyms

FOH-3-C22:2
FOH22:2

LM ID

LMPR01070321

Formula

C₆₂H₉₄O₆

Exact Mass

Calculate m/z

934.70504

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZUOANNIIIPEKAC-AQSPCOITSA-N

InChi (Click to copy)

InChI=1S/C62H94O6/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/h16-17,19-20,31-40,42,53-54,63,66H,12-15,18,21-30,41,44-48H2,1-11H3/b17-16-,20-19-,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(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)CC2(C)C

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