CID 52925268

Ps(15:0/22:2(13z,16z))

Structural Information

Molecular Formula
C43H80NO10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,39-40H,3-10,12,14-16,19-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,18-17-/t39-,40+/m1/s1
InChIKey
FWKQHNROWKCQAI-RAZLNGTHSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

801.552 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.55928 287.7
[M+Na]+ 824.54122 290.8
[M+NH4]+ 819.58582 294.3
[M+K]+ 840.51516 292.5
[M-H]- 800.54472 281.8
[M+Na-2H]- 822.52667 287.7
[M]+ 801.55145 287.7
[M]- 801.55255 287.7
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.