CID 11705814

Sn-3-o-(geranylgeranyl)glycerol 1-phosphate(2-)

Structural Information

Molecular Formula
C23H41O6P
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)(O)O)O)/C)/C)/C)C
InChI
InChI=1S/C23H41O6P/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-28-17-23(24)18-29-30(25,26)27/h9,11,13,15,23-24H,6-8,10,12,14,16-18H2,1-5H3,(H2,25,26,27)/b20-11+,21-13+,22-15+/t23-/m0/s1
InChIKey
BJLPWUCPFAJINB-UAQSTNRTSA-N
Compound name
[(2S)-2-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

444.26407 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.27135 208.3
[M+Na]+ 467.25329 211.8
[M+NH4]+ 462.29789 212.6
[M+K]+ 483.22723 208.8
[M-H]- 443.25679 204.4
[M+Na-2H]- 465.23874 213.8
[M]+ 444.26352 207.6
[M]- 444.26462 207.6
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