Structure Database (LMSD)
Common Name
4,4'-Diapophytoene
Systematic Name
(6E,10E,12E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene
Synonyms
- Dehydrosqualene
3D model of 4,4'-Diapophytoene
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)
NXJJBCPAGHGVJC-MAYJZIKRSA-N
InChi (Click to copy)
InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/CC/C=C(/CC/C=C(/C)\C)\C)/C)/C)/C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Heliobacterium mobile
(#28064)
Clostridia
(#186801)
Tracking molecular evolution of photosynthesis by characterization of a major photosynthesis gene cluster from Heliobacillus mobilis.,
Proc Natl Acad Sci U S A, 1998
Proc Natl Acad Sci U S A, 1998
Pubmed ID:
9843979
Staphylococcus aureus
(#1280)
Bacilli
(#91061)
Genetic and biochemical analyses of the biosynthesis of the yellow carotenoid 4,4'-diaponeurosporene of Staphylococcus aureus.,
J Bacteriol, 1994
J Bacteriol, 1994
Pubmed ID:
8002598
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
509.08
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
10.38
Molar Refractivity
139.97
Admin
Created at
-
Updated at
29th Oct 2021