LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-linoleate 3'-gondoate

Systematic Name

Fucoxanthinol 3-(9Z,12Z-octadecadienoate) 3'-(11Z-eicosenoate)

Synonyms

18:2FOH20:1

LM ID

LMPR01070358

Formula

C₇₈H₁₂₂O₇

Exact Mass

Calculate m/z

1170.919055

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)

RMGOQHMNCNKEIQ-GEYDJSSCSA-N

InChi (Click to copy)

InChI=1S/C78H122O7/c1-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-56-73(81)84-69-60-75(9,10)78(77(12,62-69)85-78)63-70(79)67(6)54-48-53-65(4)50-46-45-49-64(3)51-47-52-66(5)57-58-71-74(7,8)59-68(61-76(71,11)82)83-72(80)55-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-2/h22,24,27-29,31,45-54,57,68-69,82H,13-21,23,25-26,30,32-44,55-56,59-63H2,1-12H3/b24-22-,29-27-,31-28-,46-45+,51-47+,53-48+,64-49+,65-50+,66-52+,67-54+/t58-,68-,69-,76+,77+,78-/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@@]=C3[C@@](O)(C)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C[C@]3(C)C)\C)O[C@]1(C)C[C@@H](OC(CCCCCCCCC/C=C\CCCCCCCC)=O)C[C@@]2(C)C