Structure Database (LMSD)

Common Name
1,2,1',2'-Tetrahydroneurosporene
Systematic Name
1,2,7,8,1',2'-Hexahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070408
Formula
C40H62
Exact Mass
Calculate m/z
542.48515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZUVSYPZUKWNXBN-XILUKMICSA-N
InChi (Click to copy)
InChI=1S/C40H62/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/h11-12,15-17,21-22,25-31,33-34H,13-14,18-20,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,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/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)C

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

Other Databases

PubChem CID
6323456
Carotenoid ID
CA00055

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 19
Van der Waals Molecular Volume 674.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 13.32
Molar Refractivity 185.71

Admin

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