Structure Database (LMSD)

Common Name
OH-Diaponeurosporene glucoside ester
Systematic Name
Synonyms
LM ID
LMPR01070224
Formula
C36H54O6
Exact Mass
Calculate m/z
582.39204
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
Heliorestis (#79598)
Clostridia (#186801)
Novel carotenoid glucoside esters from alkaliphilic heliobacteria.,
Arch Microbiol, 2003
Pubmed ID: 12560987

String Representations

InChiKey (Click to copy)
PWAYOKPSDOKFKY-DNQODMRPSA-N
InChi (Click to copy)
InChI=1S/C36H54O6/c1-26(2)15-11-18-29(5)21-12-19-27(3)16-9-10-17-28(4)20-13-22-30(6)23-14-24-36(7,8)42-35-34(40)33(39)32(38)31(25-37)41-35/h9-13,15-22,31-35,37-40H,14,23-25H2,1-8H3/b10-9+,18-11+,19-12+,20-13+,27-16+,28-17+,29-21+,30-22+/t31-,32-,33+,34-,35+/m1/s1
SMILES (Click to copy)
CC(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C)CCC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C

Other Databases

LIPIDBANK ID
VCA1142
PubChem CID
16061314

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 647.98
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 8.73
Molar Refractivity 177.36

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Created at
-
Updated at
13th Sep 2021