Structure Database (LMSD)
Common Name
epsilon-Carotene
Systematic Name
(6R,6'R)-ε,ε-Carotene
Synonyms
- epsilon,epsilon-Carotene
3D model of epsilon-Carotene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prochlorococcus marinus
(#1219)
Cyanophyceae
(#3028117)
Opposite chirality of α-carotene in unusual cyanobacteria with unique chlorophylls, Acaryochloris and Prochlorococcus.,
Plant Cell Physiol, 2012
Plant Cell Physiol, 2012
Pubmed ID:
22968452
String Representations
InChiKey (Click to copy)
QABFXOMOOYWZLZ-GDBZIMIPSA-N
InChi (Click to copy)
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-,38-/m0/s1
SMILES (Click to copy)
C1C=C([C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)C(C)(C)C1)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
646.80
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
12.32
Molar Refractivity
181.25
Admin
Created at
-
Updated at
27th Oct 2023