Structure Database (LMSD)

Common Name
Oscillaxanthin
Systematic Name
(2R,2'R)-2,2'-Di-(L-chinovosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
LM ID
LMPR01070455
Formula
C52H76O12
Exact Mass
Calculate m/z
892.53368
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Planktothrix rubescens (#59512)
Cyanophyceae (#3028117)
The carotenoids of blue-green algae,
Phytochemistry, 1971

String Representations

InChiKey (Click to copy)
ZYYNEJWFGGVJQZ-RAGNHXDOSA-N
InChi (Click to copy)
InChI=1S/C52H76O12/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-41(51(9,10)59)63-49-47(57)45(55)43(53)39(7)61-49)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-42(52(11,12)60)64-50-48(58)46(56)44(54)40(8)62-50/h13-32,39-50,53-60H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+/m0/s1
SMILES (Click to copy)
C(/C=C(\C)/C=C/[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(C)(O)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(C)(O)C

Other Databases

Carotenoid ID
CA00127

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 2
Aromatic Rings
Rotatable Bonds 20
Van der Waals Molecular Volume 954.60
Topological Polar Surface Area 202.90
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 10.53
Molar Refractivity 260.74

Admin

Created at
17th Nov 2021
Updated at
23rd Nov 2021