CID 52926023

Ps(15:0/16:1(9z))

Structural Information

Molecular Formula
C37H70NO10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C37H70NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)48-33(31-46-49(43,44)47-32-34(38)37(41)42)30-45-35(39)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33-34H,3-12,14,16-32,38H2,1-2H3,(H,41,42)(H,43,44)/b15-13-/t33-,34+/m1/s1
InChIKey
QZTHYYSOWFNDAK-HUBWUFLTSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

719.47375 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.48103 270.0
[M+Na]+ 742.46297 273.3
[M+NH4]+ 737.50757 276.9
[M+K]+ 758.43691 274.0
[M-H]- 718.46647 265.4
[M+Na-2H]- 740.44842 271.5
[M]+ 719.47320 270.2
[M]- 719.47430 270.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.