CID 5282280

2-arachidonoylglycerol

Structural Information

Molecular Formula
C23H38O4
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
InChI
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
RCRCTBLIHCHWDZ-DOFZRALJSA-N
Compound name
1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1931
References

6485
Patents

378.277 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.284276 202.2
[M+Na]+ 401.266218 202.7
[M-H]- 377.269724 196.8
[M+NH4]+ 396.310823 199.5
[M+K]+ 417.240158 196.2
[M+H-H2O]+ 361.274260 195.0
[M+HCOO]- 423.275201 210.8
[M+CH3COO]- 437.290851 214.9
[M+Na-2H]- 399.251666 197.0
[M]+ 378.27645142 206.6
[M]- 378.27754858 206.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe