CID 14350928

Saturated archaetidylglycerol

Structural Information

Molecular Formula
C46H95O8P
SMILES
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI
InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40-,41-,42-,43-,44-,45-,46+/m1/s1
InChIKey
AFYVWQWWQKSZEV-XOXLRZKWSA-N
Compound name
[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

806.67645 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.68373 303.4
[M+Na]+ 829.66567 302.0
[M+NH4]+ 824.71027 312.0
[M+K]+ 845.63961 305.0
[M-H]- 805.66917 295.7
[M+Na-2H]- 827.65112 301.0
[M]+ 806.67590 302.2
[M]- 806.67700 302.2
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

No patent data available for this compound.