CID 131801974

Diacylglycerol(24:1/0:0/22:2)

Structural Information

Molecular Formula
C49H90O5
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47,50H,3-11,13,15-16,21-46H2,1-2H3/b14-12-,19-17-,20-18-/t47-/m0/s1
InChIKey
HNLBTPAZZNECSB-QUSLOAQQSA-N
Compound name
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-hydroxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

758.67883 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.68611 292.4
[M+Na]+ 781.66805 296.5
[M-H]- 757.67155 275.7
[M+NH4]+ 776.71265 295.0
[M+K]+ 797.64199 302.0
[M+H-H2O]+ 741.67609 291.3
[M+HCOO]- 803.67703 291.8
[M+CH3COO]- 817.69268 292.5
[M+Na-2H]- 779.65350 272.2
[M]+ 758.67828 291.4
[M]- 758.67938 291.4
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.