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Structure Database (LMSD)

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Common Name

Mactraxanthin 3-palmitoleate 3'-palmitate

Systematic Name

Mactraxanthin 3-(9Z-hexadecenoate) 3'-(hexadecanoate)

Synonyms

16:0MX16:1

LM ID

LMPR01070375

Formula

C₇₂H₁₁₈O₈

Exact Mass

Calculate m/z

1110.88267

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)

PQRUEOONAXNJCL-HOKFBUGHSA-N

InChi (Click to copy)

InChI=1S/C72H118O8/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-65(73)79-63-55-67(7,8)71(77,69(11,75)57-63)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-72(78)68(9,10)56-64(58-70(72,12)76)80-66(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h23,25,39-48,51-54,63-64,75-78H,13-22,24,26-38,49-50,55-58H2,1-12H3/b25-23-,40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t63-,64-,69+,70+,71+,72+/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)CCCCCCCCCCCCCCC)C[C@]2(C)C)\C)\C)[C@@](O)(C)C[C@@H](OC(CCCCCCC/C=C\CCCCCC)=O)C[C@@]1(C)C