Structure Database (LMSD)
Common Name
Torularhodin
Systematic Name
3',4'-Didehydro-β,psi-caroten-16'-oic acid
Synonyms
3D model of Torularhodin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NESPPCWGYRQEJQ-VATUXEBJSA-N
InChi (Click to copy)
InChI=1S/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)/b11-10+,19-12+,20-14+,22-13+,25-15+,29-28+,31-17+,32-18+,33-21+,34-23+,35-24+,37-26+
SMILES (Click to copy)
C1C(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)/C(=O)O)=C(C)CC1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rhodotorula babjevae
(#86837)
Microbotryomycetes
(#162481)
Torularhodin and torulene are the major contributors to the carotenoid pool of marine Rhodosporidium babjevae (Golubev).,
J Ind Microbiol Biotechnol, 2006
J Ind Microbiol Biotechnol, 2006
Pubmed ID:
16341835
Gyromitra gigas
(#1032678)
Pezizomycetes
(#147549)
Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
668.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
11.61
Molar Refractivity
185.35
Admin
Created at
17th Nov 2021
Updated at
30th Nov 2021