CID 171117786

Pt(18:1(9z)/18:1(9z))

Structural Information

Molecular Formula
C43H80NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H](C)[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C43H80NO10P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)51-36-39(37-52-55(49,50)54-38(3)42(44)43(47)48)53-41(46)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,38-39,42H,4-17,22-37,44H2,1-3H3,(H,47,48)(H,49,50)/b20-18-,21-19-/t38-,39-,42+/m1/s1
InChIKey
FSBXLQUQWAYZCL-SRKDJDIUSA-N
Compound name
(2S,3R)-2-amino-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

801.552 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.55928 286.8
[M+Na]+ 824.54122 289.7
[M-H]- 800.54472 283.2
[M+NH4]+ 819.58582 295.7
[M+K]+ 840.51516 293.1
[M+H-H2O]+ 784.54926 277.4
[M+HCOO]- 846.55020 278.0
[M+CH3COO]- 860.56585 296.1
[M+Na-2H]- 822.52667 265.9
[M]+ 801.55145 284.6
[M]- 801.55255 284.6
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.