CID 171120437

Linolipin f

Structural Information

Molecular Formula
C43H68O11
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C=C\O/C=C\C=C/CC
InChI
InChI=1S/C43H68O11/c1-3-5-7-9-10-11-12-13-14-16-20-23-26-30-39(46)53-36(35-52-43-42(49)41(48)40(47)37(33-44)54-43)34-51-38(45)29-25-22-19-17-15-18-21-24-28-32-50-31-27-8-6-4-2/h5-8,10-11,13-14,21,24,27-28,31-32,36-37,40-44,47-49H,3-4,9,12,15-20,22-23,25-26,29-30,33-35H2,1-2H3/b7-5-,8-6-,11-10-,14-13-,24-21-,31-27-,32-28+/t36-,37-,40+,41+,42-,43-/m1/s1
InChIKey
LBSONCQESRKNMJ-YBCRGNPRSA-N
Compound name
[(2S)-1-[(9Z,11E)-12-[(1Z,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

760.47614 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.48342 275.3
[M+Na]+ 783.46536 279.4
[M-H]- 759.46886 271.3
[M+NH4]+ 778.50996 278.9
[M+K]+ 799.43930 278.9
[M+H-H2O]+ 743.47340 275.4
[M+HCOO]- 805.47434 285.7
[M+CH3COO]- 819.48999 281.2
[M+Na-2H]- 781.45081 256.5
[M]+ 760.47559 272.4
[M]- 760.47669 272.4
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.