CID 164724

Prostaglandin f3alpha

Structural Information

Molecular Formula
C20H32O5
SMILES
CCC=CC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1
InChIKey
SAKGBZWJAIABSY-BRIYLRKRSA-N
Compound name
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

432
Patents

352.22498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23226 190.9
[M+Na]+ 375.21420 194.7
[M+NH4]+ 370.25880 193.1
[M+K]+ 391.18814 192.4
[M-H]- 351.21770 186.4
[M+Na-2H]- 373.19965 186.5
[M]+ 352.22443 189.2
[M]- 352.22553 189.2
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