Structure Database (LMSD)

O
Common Name
Dihydrospheroidene
Systematic Name
1-Methoxy-1,2,7',8'-tetrahydro-psi,psi-carotene
Synonyms
  • Methoxyneurosporene
LM ID
LMPR01070149
Formula
C41H62O
Exact Mass
Calculate m/z
570.480065
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)
IUUXWKRRZDDNQG-JLKFYMEISA-N
InChi (Click to copy)
InChI=1S/C41H62O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18,20-22,24-28,30-31H,14,17,19,23,29,32-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
SMILES (Click to copy)
CC(C)(OC)CCC/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=C(\C)/CC/C=C(\C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Extract from a mutant Rhodobacter sphaeroides as an enriched carotenoid source.,
Food Nutr Res, 2016
Pubmed ID: 27037001

Other Databases

KEGG ID
C15895
CHEBI ID
45707
LIPIDBANK ID
VCA1067
PubChem CID
16061265
Carotenoid ID
CA00086

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 697.61
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 13.30
Molar Refractivity 192.45

Admin

Created at
-
Updated at
27th Oct 2023