LIPID MAPS

Structure Database (LMSD)

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Common Name

Mactraxanthin 3-arachidonate 3'-(9E-hexadecenoate)

Systematic Name

Mactraxanthin 3-(5Z,8Z,11Z,14Z-eicosatetraenoate) 3'-(9E-hexadecenoate)

Synonyms

16:1MX20:4

LM ID

LMPR01070395

Formula

C₇₃H₁₁₂O₈

Exact Mass

Calculate m/z

1116.83572

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

VUOTUJHCNXVCBM-PMFVWLOFSA-N

InChi (Click to copy)

InChI=1S/C73H112O8/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51-67(75)81-65-57-69(9,10)73(79,71(12,77)59-65)55-53-63(6)49-43-47-61(4)45-41-40-44-60(3)46-42-48-62(5)52-54-72(78)68(7,8)56-64(58-70(72,11)76)80-66(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h15,17,21,23-24,26-27,29,33,35,40-49,52-55,64-65,76-79H,13-14,16,18-20,22,25,28,30-32,34,36-39,50-51,56-59H2,1-12H3/b17-15-,23-21-,26-24+,29-27-,35-33-,41-40+,46-42+,47-43+,54-52+,55-53+,60-44+,61-45+,62-48+,63-49+/t64-,65-,70+,71+,72+,73+/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\CC)=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