CID 52928820

1-heptadecanoyl-2-palmitoyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C36H71O8P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H71O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,39,40,41)/t34-/m1/s1
InChIKey
RWBVHFWDPWKJJF-UUWRZZSWSA-N
Compound name
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.48865 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.49593 266.2
[M+Na]+ 685.47787 266.7
[M+NH4]+ 680.52247 270.2
[M+K]+ 701.45181 267.0
[M-H]- 661.48137 254.5
[M+Na-2H]- 683.46332 265.5
[M]+ 662.48810 263.6
[M]- 662.48920 263.6
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.