LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Fucoxanthinol 3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 3'-(9E-hexadecenoate)

Systematic Name

Fucoxanthinol 3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)- 3'-(9E-hexadecenoate)

Synonyms

16:1FOH20:5

LM ID

LMPR01070325

Formula

C₇₆H₁₁₂O₇

Exact Mass

Calculate m/z

1136.840805

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)

XHONLVDYAICKMI-NYYRLTKSSA-N

InChi (Click to copy)

InChI=1S/C76H112O7/c1-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-54-71(79)82-67-58-73(9,10)76(75(12,60-67)83-76)61-68(77)65(6)52-46-51-63(4)48-44-43-47-62(3)49-45-50-64(5)55-56-69-72(7,8)57-66(59-74(69,11)80)81-70(78)53-41-39-37-35-33-31-26-24-22-20-18-16-14-2/h15,17,21,23-24,26-28,30,32,36,38,43-52,55,66-67,80H,13-14,16,18-20,22,25,29,31,33-35,37,39-42,53-54,57-61H2,1-12H3/b17-15-,23-21-,26-24+,28-27-,32-30-,38-36-,44-43+,49-45+,51-46+,62-47+,63-48+,64-50+,65-52+/t56-,66-,67-,74+,75+,76-/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](OC(=O)CCCCCCC/C=C/CCCCCC)CC3(C)C)O[C@]1(C)C[C@@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CC2(C)C