Structure Database (LMSD)

Common Name
1,2-Dihydrophytofluene
Systematic Name
1,2,7,8,11,12,7',8'-Octahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070406
Formula
C40H64
Exact Mass
Calculate m/z
544.5008
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

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)
ZCUUKNCNGWTGFD-OUOOUFEBSA-N
InChi (Click to copy)
InChI=1S/C40H64/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/h11-12,15,19,21-22,25,27-30,34H,13-14,16-18,20,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,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)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
171118751
Carotenoid ID
CA00067

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 676.80
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.69
Molar Refractivity 185.88

Admin

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