CID 52926298

1-heptadecanoyl-sn-glycero-3-phosphoserine(1-)

Structural Information

Molecular Formula
C23H46NO9P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C23H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)31-17-20(25)18-32-34(29,30)33-19-21(24)23(27)28/h20-21,25H,2-19,24H2,1H3,(H,27,28)(H,29,30)/t20-,21+/m1/s1
InChIKey
RBXXJOPBVLMRSZ-RTWAWAEBSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-heptadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

511.29102 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.29830 222.2
[M+Na]+ 534.28024 226.4
[M+NH4]+ 529.32484 227.6
[M+K]+ 550.25418 224.1
[M-H]- 510.28374 219.4
[M+Na-2H]- 532.26569 227.2
[M]+ 511.29047 222.2
[M]- 511.29157 222.2
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