CID 131767780

Cl(16:1(9z)/16:1(9z)/16:1(9z)/16:1(9z))

Structural Information

Molecular Formula
C73H134O17P2
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)O)O
InChI
InChI=1S/C73H134O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,67-69,74H,5-24,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25-,30-26-,31-27-,32-28-/t68-,69-/m1/s1
InChIKey
UYSHBKYVDAZLKJ-KFFLXILYSA-N
Compound name
[(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1344.9097 Da
Monoisotopic Mass

22.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1345.9170 416.9
[M+Na]+ 1367.8989 410.9
[M-H]- 1343.9024 409.9
[M+NH4]+ 1362.9435 434.6
[M+K]+ 1383.8729 425.6
[M+H-H2O]+ 1327.9070 398.4
[M+HCOO]- 1389.9079 397.5
[M+CH3COO]- 1403.9236 365.6
[M+Na-2H]- 1365.8844 381.4
[M]+ 1344.9092 437.1
[M]- 1344.9102 437.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.