CID 134812404

Oon-ps

Structural Information

Molecular Formula
C33H60NO11P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C33H60NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-31(36)42-26-29(27-43-46(40,41)44-28-30(34)33(38)39)45-32(37)24-21-18-15-16-19-22-25-35/h9-10,25,29-30H,2-8,11-24,26-28,34H2,1H3,(H,38,39)(H,40,41)/b10-9-/t29-,30+/m1/s1
InChIKey
BRMVNDTUFZYRDW-LJIVWJGMSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.3904 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.39768 259.7
[M+Na]+ 700.37962 263.1
[M-H]- 676.38312 258.8
[M+NH4]+ 695.42422 267.8
[M+K]+ 716.35356 261.8
[M+H-H2O]+ 660.38766 250.7
[M+HCOO]- 722.38860 256.9
[M+CH3COO]- 736.40425 271.5
[M+Na-2H]- 698.36507 241.4
[M]+ 677.38985 256.6
[M]- 677.39095 256.7
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.