CID 131801986

1-linoleoyl-3-arachidonoyl-sn-glycerol

Structural Information

Molecular Formula
C42H70O5
SMILES
CCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-23,25,29,31,40,43H,3-10,12,15,18,21,24,26-28,30,32-39H2,1-2H3/b13-11-,16-14-,19-17-,22-20-,25-23-,31-29-/t40-/m1/s1
InChIKey
YTHCXFYIDZFYFR-GWQKRSENSA-N
Compound name
[(2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

654.52234 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.52962 266.0
[M+Na]+ 677.51156 268.6
[M+NH4]+ 672.55616 266.4
[M+K]+ 693.48550 268.9
[M-H]- 653.51506 253.8
[M+Na-2H]- 675.49701 265.4
[M]+ 654.52179 263.4
[M]- 654.52289 263.4
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.