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
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
Rhodospirillum rubrum (#1085)
Alphaproteobacteria (#28211)
Carotenoids and Carotenogenesis in Anoxygenic Photosynthetic Bacteria,
The Photochemistry of Carotenoids, 2004

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

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
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Updated at
26th Jan 2022