LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-(9E-hexadecenoate)

Systematic Name

Fucoxanthinol 3-(9E-hexadecenoate)

Synonyms

FOH-3-C16:1
FOH16:1

LM ID

LMPR01070323

Formula

C₅₆H₈₄O₆

Exact Mass

Calculate m/z

852.62679

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)

LRRONDIEVKPHQF-ZFFLDDIHSA-N

InChi (Click to copy)

InChI=1S/C56H84O6/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-35-51(59)61-48-40-53(8,9)56(55(11,41-48)62-56)42-49(58)46(5)34-28-33-44(3)30-26-25-29-43(2)31-27-32-45(4)36-37-50-52(6,7)38-47(57)39-54(50,10)60/h17-18,25-34,36,47-48,57,60H,12-16,19-24,35,38-42H2,1-11H3/b18-17+,26-25+,31-27+,33-28+,43-29+,44-30+,45-32+,46-34+/t37-,47-,48-,54+,55+,56-/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(CCCCCCC/C=C/CCCCCC)=O)CC2(C)C