CID 91666409

N-arachidonoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C25H44NO7P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)O
InChI
InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)26-20-21-32-34(30,31)33-23-24(28)22-27/h6-7,9-10,12-13,15-16,24,27-28H,2-5,8,11,14,17-23H2,1H3,(H,26,29)(H,30,31)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1
InChIKey
PAGKVQGBMADPCS-XSQXPFHXSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

501.28555 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.29283 220.7
[M+Na]+ 524.27477 226.7
[M+NH4]+ 519.31937 223.5
[M+K]+ 540.24871 223.3
[M-H]- 500.27827 216.1
[M+Na-2H]- 522.26022 225.5
[M]+ 501.28500 220.3
[M]- 501.28610 220.3
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.