LIPID MAPS

Structure Database (LMSD)

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Common Name

Mactraxanthin 3-gondoate 3'-palmitoleate

Systematic Name

Mactraxanthin 3-(11Z-eicosenoate) 3'-(9Z-hexadecenoate)

Synonyms

16:1MX20:1

LM ID

LMPR01070393

Formula

C₇₆H₁₂₄O₈

Exact Mass

Calculate m/z

1164.92962

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

WELRORLXFQCYJZ-HFFVNCCKSA-N

InChi (Click to copy)

InChI=1S/C76H124O8/c1-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-54-70(78)84-68-60-72(9,10)76(82,74(12,80)62-68)58-56-66(6)52-46-50-64(4)48-44-43-47-63(3)49-45-51-65(5)55-57-75(81)71(7,8)59-67(61-73(75,11)79)83-69(77)53-41-39-37-35-33-31-26-24-22-20-18-16-14-2/h24,26-28,43-52,55-58,67-68,79-82H,13-23,25,29-42,53-54,59-62H2,1-12H3/b26-24-,28-27-,44-43+,49-45+,50-46+,57-55+,58-56+,63-47+,64-48+,65-51+,66-52+/t67-,68-,73+,74+,75+,76+/m0/s1

SMILES (Click to copy)

[C@]1(O)(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/[C@]2(O)[C@@](O)(C)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)C[C@]2(C)C)\C)\C)[C@@](O)(C)C[C@@H](OC(CCCCCCCCC/C=C\CCCCCCCC)=O)C[C@@]1(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