Structure Database (LMSD)

Common Name
Deepoxydinoxanthin
Systematic Name
3'-Ethanoyloxy-6',7'-didehydro-5',6'-dihydro-β,β-carotene-3,5'-diol
Synonyms
LM ID
LMPR01070678
Formula
C42H58O4
Exact Mass
Calculate m/z
626.43351
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

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Diacronema lutheri (#2081491)
Carotenoids of Prymnesiophyceae (Haptophyceae),
Biochem Syst Ecol, 1977

String Representations

InChiKey (Click to copy)
SHOZLVAFPCSDKR-QTCVHRADSA-N
InChi (Click to copy)
InChI=1S/C42H58O4/c1-30(18-14-20-32(3)22-24-38-34(5)26-36(44)27-40(38,7)8)16-12-13-17-31(2)19-15-21-33(4)23-25-39-41(9,10)28-37(46-35(6)43)29-42(39,11)45/h12-24,36-37,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,30-16+,31-17+,32-20+,33-21+/t25-,36+,37-,42+/m0/s1
SMILES (Click to copy)

Other Databases

PubChem CID
163057318
Carotenoid ID
CA00395

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 2
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 713.92
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 10.94
Molar Refractivity 195.63

Admin

Created at
17th Nov 2021
Updated at
2nd Dec 2021