CID 138454233

1-palmitoyl-2-(10-methyl-octadecanoyl)-3-o-(l-lysyl)-sn-glycerol

Structural Information

Molecular Formula
C44H86N2O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)[C@@H](CCCCN)N)OC(=O)CCCCCCCCC(C)CCCCCCCC
InChI
InChI=1S/C44H86N2O6/c1-4-6-8-10-12-13-14-15-16-17-18-23-27-34-42(47)50-37-40(38-51-44(49)41(46)33-29-30-36-45)52-43(48)35-28-24-20-19-22-26-32-39(3)31-25-21-11-9-7-5-2/h39-41H,4-38,45-46H2,1-3H3/t39?,40-,41-/m1/s1
InChIKey
AXTVPLXQNHTGSN-PUZNSPBHSA-N
Compound name
[(2R)-1-[(2R)-2,6-diaminohexanoyl]oxy-3-hexadecanoyloxypropan-2-yl] 10-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

738.64856 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 739.65584 285.7
[M+Na]+ 761.63778 293.1
[M-H]- 737.64128 278.4
[M+NH4]+ 756.68238 291.7
[M+K]+ 777.61172 296.4
[M+H-H2O]+ 721.64582 285.1
[M+HCOO]- 783.64676 274.2
[M+CH3COO]- 797.66241 296.5
[M+Na-2H]- 759.62323 267.8
[M]+ 738.64801 280.5
[M]- 738.64911 280.5
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.