Structure Database (LMSD)

HO OH
Common Name
Decaprenoxanthin
Systematic Name
(2R,6R,2'R,6'R)-2,2'-Bis-(4-hydroxy-3-methylbut-2-enyl)-ε,ε-carotene
Synonyms
LM ID
LMPR01080049
Formula
C51H74O2
Exact Mass
Calculate m/z
718.56888
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)
ICNCFBDQLLMGFK-BHNQPKFPSA-N
InChi (Click to copy)
InChI=1S/C51H74O2/c1-37(20-16-22-39(3)25-32-48-42(6)27-30-46(50(48,10)11)29-24-41(5)35-52)18-14-15-19-38(2)21-17-23-40(4)26-33-49-43(7)28-31-47(51(49,12)13)34-44(8)45(9)36-53/h14-28,32-33,46-49,52-53H,29-31,34-36H2,1-13H3/b15-14+,20-16+,21-17+,32-25+,33-26+,37-18+,38-19+,39-22+,40-23+,41-24+,45-44+/t46-,47+,48+,49+/m0/s1
SMILES (Click to copy)
[C@@H]1(C/C=C(\C)/CO)C(C)(C)[C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=CC[C@H](C/C(/C)=C(\C)/CO)C2(C)C)C(C)=CC1

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Corynebacterium glutamicum ATCC 13032 (#196627)
Actinomycetia (#1760)
Production and glucosylation of C50 and C 40 carotenoids by metabolically engineered Corynebacterium glutamicum.,
Appl Microbiol Biotechnol, 2014
Pubmed ID: 24270893

Other Databases

PubChem CID
10211920
Carotenoid ID
CA00937

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 2
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 849.40
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 14.39
Molar Refractivity 235.51

Admin

Created at
17th Nov 2021
Updated at
8th Dec 2021