LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Fucoxanthinol 3-myristate 3'-palmitate

Systematic Name

Fucoxanthinol 3-tetradecanoate 3'-hexadecanoate

Synonyms

16:0FOH14:0

LM ID

LMPR01070355

Formula

C₇₀H₁₁₂O₇

Exact Mass

Calculate m/z

1064.840805

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)

HELNOEQUHVTLKD-ZEKVFUPWSA-N

InChi (Click to copy)

InChI=1S/C70H112O7/c1-13-15-17-19-21-23-25-26-28-30-32-33-35-47-64(72)75-60-51-66(7,8)63(68(11,74)53-60)50-49-58(5)44-39-43-56(3)41-37-38-42-57(4)45-40-46-59(6)62(71)55-70-67(9,10)52-61(54-69(70,12)77-70)76-65(73)48-36-34-31-29-27-24-22-20-18-16-14-2/h37-46,49,60-61,74H,13-36,47-48,51-55H2,1-12H3/b38-37+,43-39+,45-40+,56-41+,57-42+,58-44+,59-46+/t50-,60-,61-,68+,69+,70-/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(CCCCCCCCCCCCC)=O)C[C@@]2(C)C