CID 71768115

1-oleoyl-2-o-arachidonyl-sn-glycerol

Structural Information

Molecular Formula
C41H72O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C41H72O4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-44-40(38-42)39-45-41(43)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,40,42H,3-10,12,14-16,20,24-26,28,30-39H2,1-2H3/b13-11-,19-17-,22-18-,23-21-,29-27-/t40-/m0/s1
InChIKey
QESYQJQDGVGRIA-QUJQOUSVSA-N
Compound name
[(2S)-3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.5431 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.55038 263.7
[M+Na]+ 651.53232 265.9
[M+NH4]+ 646.57692 262.8
[M+K]+ 667.50626 265.8
[M-H]- 627.53582 248.7
[M+Na-2H]- 649.51777 262.2
[M]+ 628.54255 260.0
[M]- 628.54365 260.0
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

No patent data available for this compound.