CID 131819908

Ps(22:1(13z)/15:0)

Structural Information

Molecular Formula
C43H82NO10P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C43H82NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h17-18,39-40H,3-16,19-38,44H2,1-2H3,(H,47,48)(H,49,50)/b18-17-/t39-,40+/m1/s1
InChIKey
HBPRPCACDJRPGG-WMWCSSQDSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

803.5676 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 804.57488 289.8
[M+Na]+ 826.55682 292.4
[M+NH4]+ 821.60142 296.5
[M+K]+ 842.53076 294.3
[M-H]- 802.56032 283.2
[M+Na-2H]- 824.54227 289.4
[M]+ 803.56705 289.6
[M]- 803.56815 289.6
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.