CID 53478203

Diacylglycerol(20:1/15:0)

Structural Information

Molecular Formula
C38H72O5
SMILES
CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,36,39H,3-16,19-35H2,1-2H3/b18-17-/t36-/m0/s1
InChIKey
XATDLPYTBUUMGA-ORMHLZIJSA-N
Compound name
[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

608.53796 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.54524 263.9
[M+Na]+ 631.52718 264.5
[M+NH4]+ 626.57178 264.5
[M+K]+ 647.50112 264.6
[M-H]- 607.53068 249.2
[M+Na-2H]- 629.51263 262.3
[M]+ 608.53741 260.1
[M]- 608.53851 260.1
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.