LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) 3'-(9E-hexadecenoate)

Systematic Name

Fucoxanthinol 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) 3'-(9E-hexadecenoate)

Synonyms

16:1FOH22:6

LM ID

LMPR01070326

Formula

C₇₈H₁₁₄O₇

Exact Mass

Calculate m/z

1162.856455

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GSYOIRYMPIOUGP-WOJFEFIZSA-N

InChi (Click to copy)

InChI=1S/C78H114O7/c1-13-15-17-19-21-23-25-27-28-29-30-31-32-34-36-38-40-42-44-56-73(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)55-43-41-39-37-35-33-26-24-22-20-18-16-14-2/h15,17,21,23-24,26-28,30-31,34,36,40,42,45-54,57,68-69,82H,13-14,16,18-20,22,25,29,32-33,35,37-39,41,43-44,55-56,59-63H2,1-12H3/b17-15-,23-21-,26-24+,28-27-,31-30-,36-34-,42-40-,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=[C@@]=C3[C@@](O)(C)C[C@@H](OC(=O)CCCCCCC/C=C/CCCCCC)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

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