CID 137323957

1-(2-methoxy-docosanyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C29H60NO9P
SMILES
CCCCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C29H60NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36-2)24-37-22-26(31)23-38-40(34,35)39-25-28(30)29(32)33/h26-28,31H,3-25,30H2,1-2H3,(H,32,33)(H,34,35)/t26-,27?,28+/m1/s1
InChIKey
ZQVWBLVVLOMLJR-UNQNHFTRSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxydocosoxy)propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.4006 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.40788 245.3
[M+Na]+ 620.38982 246.6
[M-H]- 596.39332 239.6
[M+NH4]+ 615.43442 246.9
[M+K]+ 636.36376 245.2
[M+H-H2O]+ 580.39786 234.5
[M+HCOO]- 642.39880 241.8
[M+CH3COO]- 656.41445 258.6
[M+Na-2H]- 618.37527 226.2
[M]+ 597.40005 239.7
[M]- 597.40115 239.7
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

No patent data available for this compound.