CID 56947016

2-oleoyl-lpa

Structural Information

Molecular Formula
C21H41O7P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)O
InChI
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
InChIKey
ZOOLJLSXNRZLDH-KTKRTIGZSA-N
Compound name
(1-hydroxy-3-phosphonooxypropan-2-yl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

56
Patents

436.259 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26628 209.5
[M+Na]+ 459.24822 211.9
[M+NH4]+ 454.29282 212.0
[M+K]+ 475.22216 208.9
[M-H]- 435.25172 201.5
[M+Na-2H]- 457.23367 213.6
[M]+ 436.25845 207.4
[M]- 436.25955 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe