CID 129011067

Chebi:137016

Structural Information

Molecular Formula
C43H78NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(46)44-37-39-50-52(47,48)51-41-42(45)40-49-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,35,38,42,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-34,36-37,39-41H2,1-2H3,(H,44,46)(H,47,48)/b13-11-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
InChIKey
CMDASQIIPCUQNP-FXMFQVEGSA-N
Compound name
[(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

751.5516 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 752.55888 282.0
[M+Na]+ 774.54082 285.1
[M-H]- 750.54432 271.9
[M+NH4]+ 769.58542 283.6
[M+K]+ 790.51476 286.6
[M+H-H2O]+ 734.54886 270.3
[M+HCOO]- 796.54980 284.8
[M+CH3COO]- 810.56545 287.5
[M+Na-2H]- 772.52627 260.0
[M]+ 751.55105 276.8
[M]- 751.55215 276.8
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.