Structure Database (LMSD)

Common Name
Diketospirilloxanthin
Systematic Name
1,1'-Dimethoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-2,2'-dione
Synonyms
  • 2,2'-Diketospirilloxanthin
  • 2,2'-dioxospirilloxanthin
  • Rhodoviolascin-2,2'-dione
  • P 518
LM ID
LMPR01070154
Formula
C42H56O4
Exact Mass
Calculate m/z
624.41786
Status
Curated
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
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Functional characteristics of spirilloxanthin and keto-bearing Analogues in light-harvesting LH2 complexes from Rhodobacter sphaeroides with a genetically modified carotenoid synthesis pathway.,
Biochim Biophys Acta, 2015
Pubmed ID: 25871644

String Representations

InChiKey (Click to copy)
MNKGOUOMGDXWPK-YDDLGYPNSA-N
InChi (Click to copy)
InChI=1S/C42H56O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32H,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+
SMILES (Click to copy)
CC(C)(OC)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=C(\C)/C=C/C(=O)C(C)(OC)C

Other Databases

KEGG ID
C15885
CHEBI ID
64793
LIPIDBANK ID
VCA1072
PubChem CID
5366509
Carotenoid ID
CA00179

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 730.72
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 11.12
Molar Refractivity 199.74

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Created at
-
Updated at
10th Oct 2022