CID 53478002

Diacylglycerol(15:0/14:1)

Structural Information

Molecular Formula
C32H60O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1
InChIKey
QONRXIIWERLIJA-CCZSOTCQSA-N
Compound name
[(2S)-3-hydroxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

524.4441 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.45138 243.5
[M+Na]+ 547.43332 244.7
[M+NH4]+ 542.47792 244.4
[M+K]+ 563.40726 243.7
[M-H]- 523.43682 230.8
[M+Na-2H]- 545.41877 244.0
[M]+ 524.44355 240.2
[M]- 524.44465 240.2
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.