Structure Database (LMSD)

Common Name
Dihydroanhydrorhodovibrine
Systematic Name
1-Methoxy-1,2-dihydro-psi,psi-carotene
Synonyms
  • Dihydromethoxylycopene
LM ID
LMPR01070138
Formula
C41H60O
Exact Mass
Calculate m/z
568.464415
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum (#1085)
Alphaproteobacteria (#28211)
The mono- and dimethoxy-carotenoids of diphenylamine-inhibited cultures of rhodospirillum rubrum",
Phytochemistry, 1970

String Representations

InChiKey (Click to copy)
DNWNJIQHOASZFU-VDCOAXMOSA-N
InChi (Click to copy)
InChI=1S/C41H60O/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/h12-13,15-18,20-22,24-31H,14,19,23,32-33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,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)/C=C/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
C15886
CHEBI ID
80152
LIPIDBANK ID
VCA1056
PubChem CID
16061256
Carotenoid ID
CA00133

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 694.97
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 13.07
Molar Refractivity 192.36

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Created at
-
Updated at
10th Oct 2022