LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-heptadecanoate

Systematic Name

Fucoxanthinol 3-heptadecanoate

Synonyms

FOH-3'-C17:0
FOH17:0

LM ID

LMPR01070314

Formula

C₅₇H₈₈O₆

Exact Mass

Calculate m/z

868.65809

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)

KXKAPONSKKHTFA-ZHZJLPNNSA-N

InChi (Click to copy)

InChI=1S/C57H88O6/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36-52(60)62-49-41-54(8,9)57(56(11,42-49)63-57)43-50(59)47(5)35-29-34-45(3)31-27-26-30-44(2)32-28-33-46(4)37-38-51-53(6,7)39-48(58)40-55(51,10)61/h26-35,37,48-49,58,61H,12-25,36,39-43H2,1-11H3/b27-26+,32-28+,34-29+,44-30+,45-31+,46-33+,47-35+/t38-,48-,49-,55+,56+,57-/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(CCCCCCCCCCCCCCCC)=O)CC2(C)C