Structure Database (LMSD)

Common Name
Anhydrorhodovibrin
Systematic Name
1-Methoxy-3,4-didehydro-1,2-dihydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070135
Formula
C41H58O
Exact Mass
Calculate m/z
566.448766
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum
View studies deposited in Metabolomics Workbench in which this molecule has been identified

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)
OCDSWQXGIQUZCF-AGVJHCIFSA-N
InChi (Click to copy)
InChI=1S/C41H58O/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/h12-13,15-22,24-32H,14,23,33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
SMILES (Click to copy)
CC(C)(OC)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=C(\C)/C

Other Databases

KEGG ID
C15877
CHEBI ID
80148
LIPIDBANK ID
VCA1053
PubChem CID
5368308
Carotenoid ID
CA00124

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 692.33
Topological Polar Surface Area 9.23
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 12.85
Molar Refractivity 192.26

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Created at
-
Updated at
11th Jun 2025