CID 52925283

Ps(15:1(9z)/18:1(9z))

Structural Information

Molecular Formula
C39H72NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C39H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,17-18,35-36H,3-11,13,15-16,19-34,40H2,1-2H3,(H,43,44)(H,45,46)/b14-12-,18-17-/t35-,36+/m1/s1
InChIKey
YQDXJKZGVMKMKL-RKKRWDGXSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

745.4894 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.49668 275.1
[M+Na]+ 768.47862 278.0
[M-H]- 744.48212 271.5
[M+NH4]+ 763.52322 282.4
[M+K]+ 784.45256 279.3
[M+H-H2O]+ 728.48666 265.3
[M+HCOO]- 790.48760 270.2
[M+CH3COO]- 804.50325 285.1
[M+Na-2H]- 766.46407 254.9
[M]+ 745.48885 271.9
[M]- 745.48995 271.9
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.