CID 131820051

Ps(24:1(15z)/24:1(15z))

Structural Information

Molecular Formula
C54H102NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C54H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,50-51H,3-16,21-49,55H2,1-2H3,(H,58,59)(H,60,61)/b19-17-,20-18-/t50-,51+/m1/s1
InChIKey
PHOVBVVOVGLWCT-YCHNHLRVSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-tetracos-15-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

955.7241 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 956.73138 322.4
[M+Na]+ 978.71332 324.5
[M+NH4]+ 973.75792 328.7
[M+K]+ 994.68726 328.3
[M-H]- 954.71682 312.9
[M+Na-2H]- 976.69877 319.0
[M]+ 955.72355 321.7
[M]- 955.72465 321.7
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.