CID 53478221

Diacylglycerol(20:2/15:0)

Structural Information

Molecular Formula
C38H70O5
SMILES
CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C38H70O5/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/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1
InChIKey
HDCDNPHAUKTJQG-LCEPSDQBSA-N
Compound name
[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

606.52234 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.52962 261.6
[M+Na]+ 629.51156 262.7
[M+NH4]+ 624.55616 262.1
[M+K]+ 645.48550 262.7
[M-H]- 605.51506 247.6
[M+Na-2H]- 627.49701 260.4
[M]+ 606.52179 258.0
[M]- 606.52289 258.0
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.