Structure Database (LMSD)

Common Name
Salinixanthin
Systematic Name
(2'S)-1'-[6-O-(13-Methyltetradecanoyl)-β-D-glycopyranosyloxy]-2'-hydroxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-4-one
Synonyms
  • 1',2'-Dihydro-1',2'-dihydroxy-4-ketotorulene 1'-glucoside ester
LM ID
LMPR01070192
Formula
C61H92O9
Exact Mass
Calculate m/z
968.674135
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Salinibacter ruber (#146919)
Rhodothermia (#1853222)
New C(40)-carotenoid acyl glycoside as principal carotenoid in Salinibacter ruber, an extremely halophilic eubacterium.,
J Nat Prod, 2002
Pubmed ID: 12350161

String Representations

InChiKey (Click to copy)
BUNXUZXQWPTVHM-HCSLVYINSA-N
InChi (Click to copy)
InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54+,56-,57+,58-,59+/m1/s1
SMILES (Click to copy)
C1(=C(C)C(=O)CCC1(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@H](O)C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCCCC(C)C)O1)(C)C

Other Databases

LIPIDBANK ID
VCA1110
PubChem CID
11147424
Carotenoid ID
CA00282

Calculated Physicochemical Properties

Heavy Atoms 70
Rings 2
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 1081.29
Topological Polar Surface Area 144.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 15.50
Molar Refractivity 292.86

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Created at
-
Updated at
5th Mar 2021