CID 10274197

2-glyceryl-pgf2alpha

Structural Information

Molecular Formula
C23H40O7
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(CO)CO)O)O)O
InChI
InChI=1S/C23H40O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-22,24-28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1
InChIKey
MCKWHVMNQVXLMH-PKBBWAGBSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2774 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.28468 209.5
[M+Na]+ 451.26662 208.7
[M-H]- 427.27012 203.8
[M+NH4]+ 446.31122 217.5
[M+K]+ 467.24056 204.0
[M+H-H2O]+ 411.27466 203.2
[M+HCOO]- 473.27560 218.5
[M+CH3COO]- 487.29125 218.5
[M+Na-2H]- 449.25207 199.2
[M]+ 428.27685 209.9
[M]- 428.27795 209.9
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.