CID 92136211

2-(7z,10z,13z)-hexadecatrienoyl-3-(beta-d-galactosyl)-sn-glycerol

Structural Information

Molecular Formula
C25H42O9
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)33-19(16-26)18-32-25-24(31)23(30)22(29)20(17-27)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-/t19-,20-,22+,23+,24-,25-/m1/s1
InChIKey
LJVATEUJGAWSPM-DKFDWSOISA-N
Compound name
[(2R)-1-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.2829 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.29018 220.6
[M+Na]+ 509.27212 222.8
[M+NH4]+ 504.31672 218.6
[M+K]+ 525.24606 219.6
[M-H]- 485.27562 215.4
[M+Na-2H]- 507.25757 213.1
[M]+ 486.28235 219.2
[M]- 486.28345 219.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.