CID 101600097

Prostaglandin g3

Structural Information

Molecular Formula
C20H30O6
SMILES
CC/C=C\C[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)OO
InChI
InChI=1S/C20H30O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h3-4,6-7,12-13,15-19,23H,2,5,8-11,14H2,1H3,(H,21,22)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
LRRNKTJTXRCNJX-SAMSIYEGSA-N
Compound name
(Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S,5Z)-3-hydroperoxyocta-1,5-dienyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

366.20422 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 191.6
[M+Na]+ 389.19344 195.3
[M+NH4]+ 384.23804 194.7
[M+K]+ 405.16738 195.3
[M-H]- 365.19694 189.5
[M+Na-2H]- 387.17889 185.0
[M]+ 366.20367 190.7
[M]- 366.20477 190.7
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

patents stripe