CID 52925251

Ps(15:0/14:1(9z))

Structural Information

Molecular Formula
C35H66NO10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C35H66NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(37)43-28-31(29-44-47(41,42)45-30-32(36)35(39)40)46-34(38)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,31-32H,3-9,11,13-30,36H2,1-2H3,(H,39,40)(H,41,42)/b12-10-/t31-,32+/m1/s1
InChIKey
ZLAACWMUSXUXBC-KYQUVBTASA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-pentadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

691.44244 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.44972 263.3
[M+Na]+ 714.43166 266.7
[M+NH4]+ 709.47626 270.3
[M+K]+ 730.40560 267.1
[M-H]- 690.43516 259.4
[M+Na-2H]- 712.41711 265.5
[M]+ 691.44189 263.7
[M]- 691.44299 263.7
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

patents stripe