LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-(9E-hexadecenoate) 3'-palmitate

Systematic Name

Fucoxanthinol 3-(9E-hexadecenoate) 3'-hexadecanoate

Synonyms

16:0FOH16:1

LM ID

LMPR01070354

Formula

C₇₂H₁₁₄O₇

Exact Mass

Calculate m/z

1090.856455

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

XPOYCCSLZIKZGZ-OVOMUGRSSA-N

InChi (Click to copy)

InChI=1S/C72H114O7/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-66(74)77-62-53-68(7,8)65(70(11,76)55-62)52-51-60(5)46-41-45-58(3)43-39-40-44-59(4)47-42-48-61(6)64(73)57-72-69(9,10)54-63(56-71(72,12)79-72)78-67(75)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h24,26,39-48,51,62-63,76H,13-23,25,27-38,49-50,53-57H2,1-12H3/b26-24+,40-39+,45-41+,47-42+,58-43+,59-44+,60-46+,61-48+/t52-,62-,63-,70+,71+,72-/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)CCCCCCCCCCCCCCC)C[C@]3(C)C)\C)O[C@]1(C)C[C@@H](OC(CCCCCCC/C=C/CCCCCC)=O)C[C@@]2(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