CID 53480478

Lysopc(24:1(15z))

Structural Information

Molecular Formula
C32H65NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C32H64NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h12-13,31,34H,5-11,14-30H2,1-4H3/p+1/b13-12-/t31-/m1/s1
InChIKey
GDXMCRNTFPQYOQ-RPUPUBLZSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.4499 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.45718 252.2
[M+Na]+ 629.43912 254.3
[M-H]- 605.44262 246.3
[M+NH4]+ 624.48372 255.7
[M+K]+ 645.41306 252.8
[M+H-H2O]+ 589.44716 236.4
[M+HCOO]- 651.44810 261.4
[M+CH3COO]- 665.46375 257.4
[M+Na-2H]- 627.42457 233.6
[M]+ 606.44935 248.4
[M]- 606.45045 248.4
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.