CID 86289261

1-arachidonoylglycerone 3-phosphate(2-)

Structural Information

Molecular Formula
C23H37O7P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C23H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H2,26,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKey
CVBWKWVHFOVIMT-DOFZRALJSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2277 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.23498 207.3
[M+Na]+ 479.21692 213.1
[M-H]- 455.22042 202.8
[M+NH4]+ 474.26152 210.7
[M+K]+ 495.19086 207.3
[M+H-H2O]+ 439.22496 199.1
[M+HCOO]- 501.22590 220.1
[M+CH3COO]- 515.24155 226.4
[M+Na-2H]- 477.20237 194.6
[M]+ 456.22715 204.4
[M]- 456.22825 204.4
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.