LIPID MAPS

Structure Database (LMSD)

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Common Name

Mactraxanthin 3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 3'-palmitoleate

Systematic Name

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

Synonyms

16:1MX20:5

LM ID

LMPR01070384

Formula

C₇₅H₁₁₄O₈

Exact Mass

Calculate m/z

1142.85137

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)

GSVFLUDSEHFKQU-RVYBWJKVSA-N

InChi (Click to copy)

InChI=1S/C75H114O8/c1-13-15-17-19-21-23-25-27-28-29-31-33-35-37-39-41-53-69(77)83-67-59-71(9,10)75(81,73(12,79)61-67)57-55-65(6)51-45-49-63(4)47-43-42-46-62(3)48-44-50-64(5)54-56-74(80)70(7,8)58-66(60-72(74,11)78)82-68(76)52-40-38-36-34-32-30-26-24-22-20-18-16-14-2/h13,15,19,21,24-27,29,31,35,37,42-51,54-57,66-67,78-81H,14,16-18,20,22-23,28,30,32-34,36,38-41,52-53,58-61H2,1-12H3/b15-13-,21-19-,26-24-,27-25-,31-29-,37-35-,43-42+,48-44+,49-45+,56-54+,57-55+,62-46+,63-47+,64-50+,65-51+/t66-,67-,72+,73+,74+,75+/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(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C)=O)C[C@@]1(C)C