LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-stearidonate

Systematic Name

Fucoxanthinol 3-(6Z,9Z,12Z,15Z-octadecatetraenoate)

Synonyms

FOH-3-C18:4
FOH18:4

LM ID

LMPR01070313

Formula

C₅₈H₈₂O₆

Exact Mass

Calculate m/z

874.61114

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)

JWWYLBUYULTDHA-WUYYNZCESA-N

InChi (Click to copy)

InChI=1S/C58H82O6/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-37-53(61)63-50-42-55(8,9)58(57(11,43-50)64-58)44-51(60)48(5)36-30-35-46(3)32-28-27-31-45(2)33-29-34-47(4)38-39-52-54(6,7)40-49(59)41-56(52,10)62/h13-14,16-17,19-20,22-23,27-36,38,49-50,59,62H,12,15,18,21,24-26,37,40-44H2,1-11H3/b14-13-,17-16-,20-19-,23-22-,28-27+,33-29+,35-30+,45-31+,46-32+,47-34+,48-36+/t39-,49-,50-,56+,57+,58-/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(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CC2(C)C