CID 24778490

6-keto-pgf1a-g

Structural Information

Molecular Formula
C23H40O8
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)OCC(CO)O)O)O)O
InChI
InChI=1S/C23H40O8/c1-2-3-4-7-16(25)10-11-19-20(22(29)13-21(19)28)12-17(26)8-5-6-9-23(30)31-15-18(27)14-24/h10-11,16,18-22,24-25,27-29H,2-9,12-15H2,1H3/b11-10+/t16-,18?,19+,20+,21+,22-/m0/s1
InChIKey
MPSATYYKSWVJNQ-NSZXNXEKSA-N
Compound name
2,3-dihydroxypropyl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2723 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.27958 211.1
[M+Na]+ 467.26152 209.7
[M-H]- 443.26502 205.3
[M+NH4]+ 462.30612 209.1
[M+K]+ 483.23546 206.4
[M+H-H2O]+ 427.26956 204.7
[M+HCOO]- 489.27050 214.3
[M+CH3COO]- 503.28615 222.3
[M+Na-2H]- 465.24697 199.9
[M]+ 444.27175 212.3
[M]- 444.27285 212.3
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.