CID 131819697

Ps(14:1(9z)/18:1(11z))

Structural Information

Molecular Formula
C38H70NO10P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12-13,15,34-35H,3-9,11,14,16-33,39H2,1-2H3,(H,42,43)(H,44,45)/b12-10-,15-13-/t34-,35+/m1/s1
InChIKey
JCWFXFIHAGGFHY-QVPOJJHRSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.47375 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.48103 271.1
[M+Na]+ 754.46297 274.7
[M+NH4]+ 749.50757 278.0
[M+K]+ 770.43691 275.5
[M-H]- 730.46647 267.0
[M+Na-2H]- 752.44842 272.7
[M]+ 731.47320 271.5
[M]- 731.47430 271.5
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.