LIPID MAPS

Structure Database (LMSD)

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Common Name

Thermobiszeaxanthin-13-13

Systematic Name

Synonyms

Zeaxanthin diglucoside diester

LM ID

LMPR01070110

Formula

C₇₈H₁₂₄O₁₄

Exact Mass

Calculate m/z

1284.899112

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Thermus thermophilus (#274)

Deinococci (#188787)

Thermozeaxanthins, New Carotenoid-glycoside-esters from Thermophilic Eubacterium Thermus thermophilus,
Tetrahedron Letts, 1995

DOI: 10.1016/0040-4039(95)00881-C

String Representations

InChiKey (Click to copy)

VONGOBDGENIJJS-HYFVKYNWSA-N

InChi (Click to copy)

InChI=1S/C78H124O14/c1-53(2)33-25-21-17-15-19-23-27-41-67(79)87-51-65-69(81)71(83)73(85)75(91-65)89-61-47-59(9)63(77(11,12)49-61)45-43-57(7)39-31-37-55(5)35-29-30-36-56(6)38-32-40-58(8)44-46-64-60(10)48-62(50-78(64,13)14)90-76-74(86)72(84)70(82)66(92-76)52-88-68(80)42-28-24-20-16-18-22-26-34-54(3)4/h29-32,35-40,43-46,53-54,61-62,65-66,69-76,81-86H,15-28,33-34,41-42,47-52H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,55-35+,56-36+,57-39+,58-40+/t61-,62-,65-,66-,69-,70-,71+,72+,73-,74-,75-,76-/m1/s1

SMILES (Click to copy)

C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCC(C)C)O3)C[C@@]2(C)C)=C(C)C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCC(C)C)O2)C[C@@]1(C)C