CID 52926786

Pg(20:0/19:1(9z))

Structural Information

Molecular Formula
C45H87O10P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C45H87O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-44(48)52-40-43(41-54-56(50,51)53-39-42(47)38-46)55-45(49)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h20,22,42-43,46-47H,3-19,21,23-41H2,1-2H3,(H,50,51)/b22-20-/t42-,43+/m0/s1
InChIKey
JQPQVILMHWZXLL-IQWYXLONSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

818.6037 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.61098 298.0
[M+Na]+ 841.59292 296.3
[M-H]- 817.59642 286.9
[M+NH4]+ 836.63752 302.7
[M+K]+ 857.56686 301.8
[M+H-H2O]+ 801.60096 287.2
[M+HCOO]- 863.60190 292.6
[M+CH3COO]- 877.61755 294.8
[M+Na-2H]- 839.57837 273.4
[M]+ 818.60315 297.4
[M]- 818.60425 297.4
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.