CID 56936408

1-9z-nonadecenoyl-2-(9z,12z-heptadecadienoyl)-sn-glycerol

Structural Information

Molecular Formula
C39H70O5
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h10,12,16,18-20,37,40H,3-9,11,13-15,17,21-36H2,1-2H3/b12-10-,18-16-,20-19-/t37-/m0/s1
InChIKey
FSLLQCHHIXSSQV-NGMVKSKSSA-N
Compound name
[(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxypropyl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.52234 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.529616 260.1
[M+Na]+ 641.511558 265.9
[M-H]- 617.515064 247.2
[M+NH4]+ 636.556163 262.9
[M+K]+ 657.485498 267.3
[M+H-H2O]+ 601.519600 260.0
[M+HCOO]- 663.520541 263.3
[M+CH3COO]- 677.536191 265.7
[M+Na-2H]- 639.497006 243.9
[M]+ 618.52179142 258.9
[M]- 618.52288858 258.9
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.