CID 90658678

18:1-16:1-mgdg

Structural Information

Molecular Formula
C43H78O10
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\CCCCCCCC
InChI
InChI=1S/C43H78O10/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/h17-19,22,36-37,40-44,47-49H,3-16,20-21,23-35H2,1-2H3/b18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1
InChIKey
RVTDOBUXLKASID-NVMFGSTBSA-N
Compound name
[(2S)-2-[(Z)-hexadec-7-enoyl]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

754.5595 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.56678 285.3
[M+Na]+ 777.54872 284.1
[M+NH4]+ 772.59332 283.4
[M+K]+ 793.52266 284.9
[M-H]- 753.55222 274.3
[M+Na-2H]- 775.53417 282.6
[M]+ 754.55895 282.1
[M]- 754.56005 282.1
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.