CID 5280612

1-oleoylglycerone 3-phosphate(2-)

Structural Information

Molecular Formula
C21H39O7P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
InChIKey
YZKFNNQAEBNCEN-KTKRTIGZSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

434.24335 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25063 208.8
[M+Na]+ 457.23257 211.6
[M+NH4]+ 452.27717 212.0
[M+K]+ 473.20651 208.7
[M-H]- 433.23607 201.3
[M+Na-2H]- 455.21802 213.3
[M]+ 434.24280 207.1
[M]- 434.24390 207.1
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