Structure Database (LMSD)
Common Name
ss-Apo-4'-carotenal
Systematic Name
4'-Apo-β,psi-caroten-4'-al
Synonyms
3D model of ss-Apo-4'-carotenal
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)
FTQSFEZUHZHOAT-BRZOAGJPSA-N
InChi (Click to copy)
InChI=1S/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+
SMILES (Click to copy)
C1(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)=C(C)CCC1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Neurospora crassa
(#5141)
Sordariomycetes
(#147550)
Identification of the gene responsible for torulene cleavage in the Neurospora carotenoid pathway.,
Mol Genet Genomics, 2007
Mol Genet Genomics, 2007
Pubmed ID:
17610084
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
1
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
578.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
10.22
Molar Refractivity
160.88
Admin
Created at
17th Nov 2021
Updated at
30th Nov 2021