Structure Database (LMSD)

Common Name
Thermobiszeaxanthin-15-15
Systematic Name
(3R,3'R)-3,3'-Di[(6-O-13-methyltetradecanoyl-β-D-glucopyranosyl)oxy]-β,β-carotene
Synonyms
  • Zeaxanthin diglucoside diester
LM ID
LMPR01070112
Status
Active
Exact Mass
Calculate m/z
1340.96171
Formula
C82H132O14
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
VVKAQZYKDOWNFD-PSXCMIFPSA-N
InChi (Click to copy)
InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79-,80-/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)CCCCCCCCCCCC(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(CCCCCCCCCCCC(C)C)=O)O2)C[C@@]1(C)C

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

Other Databases

LIPIDBANK ID
VCA1030
PubChem CID
16186348
Carotenoid ID
CA00393

Calculated Physicochemical Properties

Heavy Atoms 96
Rings 4
Aromatic Rings 0
Rotatable Bonds 44
Van der Waals Molecular Volume 1466.46
Topological Polar Surface Area 215.04
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
logP 21.20
Molar Refractivity 395.56

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Created at
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Updated at
18th Jan 2022