CID 52929655

1-palmityl-2-oleoyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C37H73O7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C37H73O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,36H,3-16,18,20-35H2,1-2H3,(H2,39,40,41)/b19-17-/t36-/m1/s1
InChIKey
ZZDYNTYJHKJVHN-QJEXQQAGSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

660.5094 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.51668 266.2
[M+Na]+ 683.49862 267.1
[M+NH4]+ 678.54322 268.9
[M+K]+ 699.47256 267.1
[M-H]- 659.50212 252.5
[M+Na-2H]- 681.48407 265.0
[M]+ 660.50885 263.0
[M]- 660.50995 263.0
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

patents stripe