LIPID MAPS

Structure Database (LMSD)

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Common Name

Fucoxanthinol 3-gondoate 3'-palmitoleate

Systematic Name

Fucoxanthinol 3-(11Z-eicosanoate) 3'-(9Z-hexadecenoate)

Synonyms

16:1FOH20:1

LM ID

LMPR01070340

Formula

C₇₅H₁₁₈O₇

Exact Mass

Calculate m/z

1130.887755

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JDNSSOPAZBBJDC-WZTUPZIOSA-N

InChi (Click to copy)

InChI=1S/C75H118O7/c1-13-15-17-19-21-23-25-27-28-29-31-33-35-37-39-41-53-70(78)81-66-57-72(9,10)75(74(12,59-66)82-75)60-67(76)64(6)51-45-50-62(4)47-43-42-46-61(3)48-44-49-63(5)54-55-68-71(7,8)56-65(58-73(68,11)79)80-69(77)52-40-38-36-34-32-30-26-24-22-20-18-16-14-2/h24-27,42-51,54,65-66,79H,13-23,28-41,52-53,56-60H2,1-12H3/b26-24-,27-25-,43-42+,48-44+,50-45+,61-46+,62-47+,63-49+,64-51+/t55-,65-,66-,73+,74+,75-/m0/s1

SMILES (Click to copy)

[C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=[C@@]=C3[C@@](O)(C)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)C[C@]3(C)C)\C)O[C@]1(C)C[C@@H](OC(CCCCCCCCC/C=C\CCCCCCC)=O)C[C@@]2(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