Structure Database (LMSD)

Common Name
(9Z)-Zeaxanthin-3'-Rhamnoside
Systematic Name
(9Z,3R,3'R)-3'-(α-L-rhamnopyranosyloxy)-β,β-carotene-3-ol
Synonyms
LM ID
LMPR01070687
Formula
C46H66O6
Exact Mass
Calculate m/z
714.48594
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
Saccharolobus shibatae (#2286)
Thermoprotei (#183924)
Isolation and Structure Elucidation of Carotenoid Glycosides from the Thermoacidophilic Archaea Sulfolobus shibatae,
J Nat Prod, 1997

String Representations

InChiKey (Click to copy)
PNUMJYSPLIEPOC-PZXJBJKVSA-N
InChi (Click to copy)
InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21-/t36-,37+,38+,41-,42+,43+,44+/m0/s1
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\C2C(C)(C)C[C@H](O)CC=2C)=C(C)C[C@H]1O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

Other Databases

PubChem CID
162961379
Carotenoid ID
CA00992

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 3
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 790.98
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.40
Molar Refractivity 218.98

Admin

Created at
17th Nov 2021
Updated at
2nd Dec 2021