CID 131801695

1-myristoyl-3-eicosenoyl-sn-glycerol

Structural Information

Molecular Formula
C37H70O5
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,35,38H,3-15,18-34H2,1-2H3/b17-16-/t35-/m1/s1
InChIKey
FGYNKECBZOBIDG-XHYHITGYSA-N
Compound name
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.