LIPID MAPS

Structure Database (LMSD)

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Common Name

Mactraxanthin 3-stearate 3'-palmitate

Systematic Name

Mactraxanthin 3-octadecanoate 3'-palmitate

Synonyms

16:0MX18:0

LM ID

LMPR01070372

Formula

C₇₄H₁₂₄O₈

Exact Mass

Calculate m/z

1140.92962

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JBVJVXJAIFKEOA-PCIDVJSWSA-N

InChi (Click to copy)

InChI=1S/C74H124O8/c1-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-52-68(76)82-66-58-70(9,10)74(80,72(12,78)60-66)56-54-64(6)50-44-48-62(4)46-42-41-45-61(3)47-43-49-63(5)53-55-73(79)69(7,8)57-65(59-71(73,11)77)81-67(75)51-39-37-35-33-31-29-26-24-22-20-18-16-14-2/h41-50,53-56,65-66,77-80H,13-40,51-52,57-60H2,1-12H3/b42-41+,47-43+,48-44+,55-53+,56-54+,61-45+,62-46+,63-49+,64-50+/t65-,66-,71+,72+,73+,74+/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(CCCCCCCCCCCCCCCCC)=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