Structure Database (LMSD)

OH HO
Common Name
2'-Isopentenyldehydrosaproxanthin
Systematic Name
2'-Isopentyl-1',2',3',4'-Tetradehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01080015
Formula
C45H62O2
Exact Mass
Calculate m/z
634.47498
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Polyterpenes [PR0108]

String Representations

InChiKey (Click to copy)
SKRRRHHYRQAZNI-LRVRPKNKSA-N
InChi (Click to copy)
InChI=1S/C45H62O2/c1-34(2)26-29-41(45(11,12)47)30-27-38(6)24-17-23-37(5)22-15-20-35(3)18-13-14-19-36(4)21-16-25-39(7)28-31-43-40(8)32-42(46)33-44(43,9)10/h13-28,30-31,33,41,46-47H,29,32H2,1-12H3/b14-13+,20-15+,21-16+,23-17+,30-27+,31-28+,35-18+,36-19+,37-22+,38-24+,39-25+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C/C=C(\C)/C)C(C)(O)C)=C(C)CC=1O

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodopirellula rubra (#980271)
Planctomycetia (#203683)
Pink- and orange-pigmented Planctomycetes produce saproxanthin-type carotenoids including a rare C45 carotenoid.,
Environ Microbiol Rep, 2019
Pubmed ID: 31600855

Other Databases

PubChem CID
171118928
Carotenoid ID
CA01223

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 1
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 755.32
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 13.27
Molar Refractivity 209.78

Admin

Created at
17th Nov 2021
Updated at
3rd Dec 2021