CID 137323845

1-o-(2r-methoxy-4z,7z,10z,13z,16z,19z-docosahexaenyl)-sn-glycerol

Structural Information

Molecular Formula
C26H42O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29-2)24-30-23-25(28)22-27/h4-5,7-8,10-11,13-14,16-17,19-20,25-28H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t25-,26+/m0/s1
InChIKey
CZCDHKINCYAFPF-QRWVTZTPSA-N
Compound name
(2S)-3-[(2R,4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.30832 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 213.5
[M+Na]+ 441.29754 213.2
[M-H]- 417.30104 199.9
[M+NH4]+ 436.34214 208.5
[M+K]+ 457.27148 205.4
[M+H-H2O]+ 401.30558 206.0
[M+HCOO]- 463.30652 219.3
[M+CH3COO]- 477.32217 222.4
[M+Na-2H]- 439.28299 206.9
[M]+ 418.30777 207.6
[M]- 418.30887 207.6
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.