CID 131819820

Ps(20:2(11z,14z)/24:0)

Structural Information

Molecular Formula
C50H94NO10P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C50H94NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,46-47H,3-11,13,15-17,19,21-45,51H2,1-2H3,(H,54,55)(H,56,57)/b14-12-,20-18-/t46-,47+/m1/s1
InChIKey
JVZXSXONDPYKEI-YGJJBUPOSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-tetracosanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

899.66156 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 900.66884 310.1
[M+Na]+ 922.65078 312.5
[M+NH4]+ 917.69538 316.5
[M+K]+ 938.62472 315.6
[M-H]- 898.65428 301.9
[M+Na-2H]- 920.63623 307.9
[M]+ 899.66101 309.6
[M]- 899.66211 309.6
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.