LIPID MAPS

Structure Database (LMSD)

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Common Name

Mactraxanthin 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) 3'-palmitate

Systematic Name

Mactraxanthin 3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) 3'-hexadecanoate

Synonyms

16:0MX22:6

LM ID

LMPR01070382

Formula

C₇₈H₁₂₀O₈

Exact Mass

Calculate m/z

1184.89832

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

FZFFKWLJQGYJRU-GDWVOHHPSA-N

InChi (Click to copy)

InChI=1S/C78H120O8/c1-13-15-17-19-21-23-25-27-28-29-30-31-32-34-36-38-40-42-44-56-72(80)86-70-62-74(9,10)78(84,76(12,82)64-70)60-58-68(6)54-48-52-66(4)50-46-45-49-65(3)51-47-53-67(5)57-59-77(83)73(7,8)61-69(63-75(77,11)81)85-71(79)55-43-41-39-37-35-33-26-24-22-20-18-16-14-2/h15,17,21,23,27-28,30-31,34,36,40,42,45-54,57-60,69-70,81-84H,13-14,16,18-20,22,24-26,29,32-33,35,37-39,41,43-44,55-56,61-64H2,1-12H3/b17-15-,23-21-,28-27-,31-30-,36-34-,42-40-,46-45+,51-47+,52-48+,59-57+,60-58+,65-49+,66-50+,67-53+,68-54+/t69-,70-,75+,76+,77+,78+/m0/s1

SMILES (Click to copy)

[C@]1(O)(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/[C@]2(O)[C@@](O)(C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)C[C@]2(C)C)\C)\C)[C@@](O)(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)C[C@@]1(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