CID 90657511

18:1-16:2-mgdg

Structural Information

Molecular Formula
C43H76O10
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h12,14,17-19,22,36-37,40-44,47-49H,3-11,13,15-16,20-21,23-35H2,1-2H3/b14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1
InChIKey
SFKZPPODZMCLPE-NHGAJDLWSA-N
Compound name
[(2S)-2-[(7Z,10Z)-hexadeca-7,10-dienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

752.5438 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.55108 283.3
[M+Na]+ 775.53302 282.5
[M+NH4]+ 770.57762 281.4
[M+K]+ 791.50696 283.2
[M-H]- 751.53652 273.0
[M+Na-2H]- 773.51847 280.9
[M]+ 752.54325 280.3
[M]- 752.54435 280.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.