CID 52925668

Ps(20:2(11z,14z)/12:0)

Structural Information

Molecular Formula
C38H70NO10P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-21-12-10-8-6-4-2/h11,13,15-16,34-35H,3-10,12,14,17-33,39H2,1-2H3,(H,42,43)(H,44,45)/b13-11-,16-15-/t34-,35+/m1/s1
InChIKey
XPVIVDXTFPMUHX-BVOJHTSZSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-dodecanoyloxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.47375 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.48103 271.8
[M+Na]+ 754.46297 275.0
[M-H]- 730.46647 268.6
[M+NH4]+ 749.50757 279.2
[M+K]+ 770.43691 275.8
[M+H-H2O]+ 714.47101 262.2
[M+HCOO]- 776.47195 267.3
[M+CH3COO]- 790.48760 282.5
[M+Na-2H]- 752.44842 252.1
[M]+ 731.47320 268.5
[M]- 731.47430 268.5
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.