CID 52926273

1-(1z-octadecenyl)-2-oleoyl-sn-glycero-3-phosphoserine(1-)

Structural Information

Molecular Formula
C42H80NO9P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C42H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-36-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,35,39-40H,3-17,19,21-32,34,36-38,43H2,1-2H3,(H,45,46)(H,47,48)/b20-18-,35-33-/t39-,40+/m1/s1
InChIKey
WBKLUOHQBQPPBN-SCHMGOCJSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-octadec-1-enoxy]-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

773.55707 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.56435 283.7
[M+Na]+ 796.54629 286.9
[M+NH4]+ 791.59089 289.1
[M+K]+ 812.52023 288.0
[M-H]- 772.54979 275.8
[M+Na-2H]- 794.53174 283.3
[M]+ 773.55652 283.0
[M]- 773.55762 283.0
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