Structure Database (LMSD)

Common Name
1,2-Dihydrophytoene
Systematic Name
1,2,7,8,11,12,7',8',11',12'-Decahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070405
Formula
C40H66
Exact Mass
Calculate m/z
546.51645
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Blastochloris viridis (#1079)
Alphaproteobacteria (#28211)
A novel series of 1,2-dihydro carotenoids.,
Int Z Vitaminforsch, 1970
Pubmed ID: 5450993

String Representations

InChiKey (Click to copy)
DYNBOHSNKKLWDJ-KEKOKYSKSA-N
InChi (Click to copy)
InChI=1S/C40H66/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19,21-22,27-30,34H,13-18,20,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)C)/CC/C(/C)=C/CC/C(/C)=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
6392243
Carotenoid ID
CA00063

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 679.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 13.91
Molar Refractivity 185.97

Admin

Created at
17th Nov 2021
Updated at
22nd Nov 2021