CID 53478026

Diacylglycerol(16:0/15:0)

Structural Information

Molecular Formula
C34H66O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C34H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(36)38-31-32(30-35)39-34(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1
InChIKey
ARIMPAYGOMZGCV-YTTGMZPUSA-N
Compound name
[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

554.491 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.498276 249.8
[M+Na]+ 577.480218 254.6
[M-H]- 553.483724 236.3
[M+NH4]+ 572.524823 251.7
[M+K]+ 593.454158 255.3
[M+H-H2O]+ 537.488260 250.1
[M+HCOO]- 599.489201 252.3
[M+CH3COO]- 613.504851 255.6
[M+Na-2H]- 575.465666 234.1
[M]+ 554.49045142 249.3
[M]- 554.49154858 249.3
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.