CID 131801879

1-palmitoleoyl-3-adrenoyl-sn-glycerol

Structural Information

Molecular Formula
C41H70O5
SMILES
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-26,39,42H,3-10,12,14-16,19,22,27-38H2,1-2H3/b13-11-,18-17-,21-20-,25-23-,26-24-/t39-/m1/s1
InChIKey
CETRSLQZSQJKNF-ZLHBMHBLSA-N
Compound name
[(2R)-3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

642.52234 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.52962 264.8
[M+Na]+ 665.51156 267.1
[M+NH4]+ 660.55616 265.2
[M+K]+ 681.48550 267.3
[M-H]- 641.51506 252.2
[M+Na-2H]- 663.49701 264.1
[M]+ 642.52179 262.0
[M]- 642.52289 262.0
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.