CID 146171593

Pg 17:0-14:1-d5

Structural Information

Molecular Formula
C37H71O10P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C37H71O10P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-21-18-14-12-10-8-6-4-2/h10,12,34-35,38-39H,3-9,11,13-33H2,1-2H3,(H,42,43)/b12-10-/t34?,35-/m1/s1/i32D2,33D2,35D
InChIKey
CCMFBKQDCGRHJC-AQKBJVLOSA-N
Compound name
[(2R)-1,1,2,3,3-pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

711.5099 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.51718 261.5
[M+Na]+ 734.49912 259.3
[M-H]- 710.50262 256.1
[M+NH4]+ 729.54372 266.9
[M+K]+ 750.47306 264.5
[M+H-H2O]+ 694.50716 246.1
[M+HCOO]- 756.50810 264.6
[M+CH3COO]- 770.52375 274.7
[M+Na-2H]- 732.48457 240.5
[M]+ 711.50935 265.3
[M]- 711.51045 265.3
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.