Structure Database (LMSD)

Common Name
Hydroxyspirilloxanthin
Systematic Name
1'-Methoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-caroten-1-ol
Synonyms
  • OH-Spirilloxanthin
  • Monomethylated spirilloxanthin
LM ID
LMPR01070137
Formula
C41H58O2
Exact Mass
Calculate m/z
582.44368
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
SSZVJOJPPUPCBF-JARCNSDHSA-N
InChi (Click to copy)
InChI=1S/C41H58O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-31,42H,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,30-18+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
SMILES (Click to copy)
CC(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/CC(C)(OC)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum (#1085)
Alphaproteobacteria (#28211)
Carotenoids and Carotenogenesis in Anoxygenic Photosynthetic Bacteria,
The Photochemistry of Carotenoids, 2004

Other Databases

KEGG ID
C15879
CHEBI ID
80150
LIPIDBANK ID
VCA1055
PubChem CID
5366504
Carotenoid ID
CA00090

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 701.12
Topological Polar Surface Area 29.46
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 12.11
Molar Refractivity 194.17

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Created at
-
Updated at
26th Jan 2022