CID 5283471

1-oleoyl-2-palmitoyl-sn-glycerol

Structural Information

Molecular Formula
C37H70O5
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1
InChIKey
DOZKMFVMCATMEH-OZKTZCCCSA-N
Compound name
[(2S)-2-hexadecanoyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

55
Patents

594.52234 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.52962 260.5
[M+Na]+ 617.51156 261.3
[M+NH4]+ 612.55616 261.2
[M+K]+ 633.48550 261.2
[M-H]- 593.51506 246.1
[M+Na-2H]- 615.49701 259.3
[M]+ 594.52179 256.8
[M]- 594.52289 256.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe