LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Violaxanthin di-myristate

Systematic Name

(3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3-myristate-3'-myristate

Synonyms

LM ID

LMPR01070737

Formula

C₆₈H₁₀₈O₆

Exact Mass

Calculate m/z

1020.81459

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Malus domestica (#3750)

Magnoliopsida (#3398)

Chlorophyll and carotenoid pigments in the peel and flesh of commercial apple fruit varieties,
Food Res Int, 2014

DOI: 10.1016/j.foodres.2014.03.025

String Representations

InChiKey (Click to copy)

NCFDJDBFEOAGAU-SSPSLKKNSA-N

InChi (Click to copy)

InChI=1S/C68H108O6/c1-13-15-17-19-21-23-25-27-29-31-33-45-61(69)71-59-51-63(7,8)67(65(11,53-59)73-67)49-47-57(5)43-37-41-55(3)39-35-36-40-56(4)42-38-44-58(6)48-50-68-64(9,10)52-60(54-66(68,12)74-68)72-62(70)46-34-32-30-28-26-24-22-20-18-16-14-2/h35-44,47-50,59-60H,13-34,45-46,51-54H2,1-12H3/b36-35+,41-37+,42-38+,49-47+,50-48+,55-39+,56-40+,57-43+,58-44+/t59-,60-,65+,66+,67-,68-/m0/s1

SMILES (Click to copy)

C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1OC(CCCCCCCCCCCCC)=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](OC(CCCCCCCCCCCCC)=O)CC2(C)C