CID 134812373

Ohhdia-pe

Structural Information

Molecular Formula
C30H54NO11P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(/C=C/C(=O)O)O
InChI
InChI=1S/C30H54NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(35)39-24-27(25-41-43(37,38)40-23-22-31)42-30(36)21-19-26(32)18-20-28(33)34/h9-10,18,20,26-27,32H,2-8,11-17,19,21-25,31H2,1H3,(H,33,34)(H,37,38)/b10-9-,20-18+/t26?,27-/m1/s1
InChIKey
HBDOLRKWTNOIOD-HPNFKZMPSA-N
Compound name
(E)-7-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.34344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.35072 247.5
[M+Na]+ 658.33266 250.5
[M-H]- 634.33616 247.4
[M+NH4]+ 653.37726 253.4
[M+K]+ 674.30660 248.0
[M+H-H2O]+ 618.34070 237.6
[M+HCOO]- 680.34164 244.4
[M+CH3COO]- 694.35729 260.9
[M+Na-2H]- 656.31811 229.8
[M]+ 635.34289 242.8
[M]- 635.34399 242.8
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.