CID 131841381

Pg(15:0/16:0(9cp))

Structural Information

Molecular Formula
C38H73O10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC
InChI
InChI=1S/C38H73O10P/c1-3-5-7-9-10-11-12-13-14-15-18-22-26-37(41)45-31-36(32-47-49(43,44)46-30-35(40)29-39)48-38(42)27-23-19-16-17-21-25-34-28-33(34)24-20-8-6-4-2/h33-36,39-40H,3-32H2,1-2H3,(H,43,44)/t33-,34+,35-,36+/m0/s1
InChIKey
ZWWDUAOHPJKNOB-IHUVGRGJSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoyloxy]propyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.49414 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.50142 274.8
[M+Na]+ 743.48336 275.5
[M-H]- 719.48686 265.5
[M+NH4]+ 738.52796 279.6
[M+K]+ 759.45730 277.1
[M+H-H2O]+ 703.49140 266.1
[M+HCOO]- 765.49234 274.8
[M+CH3COO]- 779.50799 276.9
[M+Na-2H]- 741.46881 254.7
[M]+ 720.49359 279.6
[M]- 720.49469 279.6
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

No patent data available for this compound.