CID 52925402

Ps(17:2(9z,12z)/18:3(9z,12z,15z))

Structural Information

Molecular Formula
C41H70NO10P
SMILES
CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C41H70NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)52-37(35-50-53(47,48)51-36-38(42)41(45)46)34-49-39(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,37-38H,3-4,6,8-9,14-15,20-36,42H2,1-2H3,(H,45,46)(H,47,48)/b7-5-,12-10-,13-11-,18-16-,19-17-/t37-,38+/m1/s1
InChIKey
FZVURTREWLGDHJ-UEVHIMBRSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

767.47375 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.48103 275.7
[M+Na]+ 790.46297 280.2
[M-H]- 766.46647 273.8
[M+NH4]+ 785.50757 284.0
[M+K]+ 806.43691 280.8
[M+H-H2O]+ 750.47101 266.0
[M+HCOO]- 812.47195 272.6
[M+CH3COO]- 826.48760 286.9
[M+Na-2H]- 788.44842 256.3
[M]+ 767.47320 272.2
[M]- 767.47430 272.2
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.