CID 132981867

Cl(18:1(11z)/20:4(5z,8z,11z,14z)/18:1(9z)/18:1(9z))

Structural Information

Molecular Formula
C83H148O17P2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31,33-34,36-37,39,41-42,46,54,58,77-79,84H,5-20,22-24,26,28-30,32,35,38,40,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,37-33-,39-34-,41-36-,46-42-,58-54-/t77?,78-,79-/m1/s1
InChIKey
OLWNCQKUVZWBGI-GJVWETDYSA-N
Compound name
[(2R)-1-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1479.0192 Da
Monoisotopic Mass

25.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1480.0265 416.9
[M+Na]+ 1502.0084 414.3
[M+NH4]+ 1497.0530 428.4
[M+K]+ 1517.9824 424.0
[M-H]- 1478.0119 407.4
[M+Na-2H]- 1499.9939 407.3
[M]+ 1479.0187 417.7
[M]- 1479.0197 417.7
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.