CID 14556935

2,3-bis-o-(geranylgeranyl)-sn-glycerol 1-phosphate

Structural Information

Molecular Formula
C43H73O6P
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)(O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C
InChI
InChI=1S/C43H73O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H2,44,45,46)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m0/s1
InChIKey
WHMXLRRVANEOOG-MVFIEKMPSA-N
Compound name
[(2S)-2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

716.51447 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.52175 262.1
[M+Na]+ 739.50369 269.7
[M-H]- 715.50719 261.6
[M+NH4]+ 734.54829 276.0
[M+K]+ 755.47763 275.0
[M+H-H2O]+ 699.51173 255.8
[M+HCOO]- 761.51267 252.2
[M+CH3COO]- 775.52832 281.9
[M+Na-2H]- 737.48914 247.5
[M]+ 716.51392 260.7
[M]- 716.51502 260.7
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.