CID 131801845

Diacylglycerol(14:1/0:0/16:1)

Structural Information

Molecular Formula
C33H60O5
SMILES
CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18-19,21,31,34H,3-15,17,20,22-30H2,1-2H3/b18-16-,21-19-/t31-/m1/s1
InChIKey
WFSPRUOXILQGMQ-WUPLQHGWSA-N
Compound name
[(2S)-2-hydroxy-3-[(Z)-tetradec-5-enoyl]oxypropyl] (Z)-hexadec-7-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

536.4441 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.45138 244.5
[M+Na]+ 559.43332 246.1
[M+NH4]+ 554.47792 245.2
[M+K]+ 575.40726 245.1
[M-H]- 535.43682 232.2
[M+Na-2H]- 557.41877 245.0
[M]+ 536.44355 241.3
[M]- 536.44465 241.3
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.