CID 131801715

Diacylglycerol(15:0/0:0/16:1)

Structural Information

Molecular Formula
C34H64O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C34H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,32,35H,3-16,18,20-31H2,1-2H3/b19-17-/t32-/m1/s1
InChIKey
XHXRBNJRHQBMQZ-YAPOEIJFSA-N
Compound name
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] (Z)-hexadec-7-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

552.4754 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.48268 250.4
[M+Na]+ 575.46462 251.4
[M+NH4]+ 570.50922 251.1
[M+K]+ 591.43856 250.7
[M-H]- 551.46812 237.0
[M+Na-2H]- 573.45007 250.1
[M]+ 552.47485 246.9
[M]- 552.47595 246.9
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.