CID 137333885

Chebi:143094

Structural Information

Molecular Formula
C40H78NO11P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC(CCCCCCCC)O
InChI
InChI=1S/C40H78NO11P/c1-3-5-7-9-11-12-13-14-15-16-17-22-26-30-38(43)49-32-36(33-50-53(47,48)51-34-37(41)40(45)46)52-39(44)31-27-23-19-18-21-25-29-35(42)28-24-20-10-8-6-4-2/h35-37,42H,3-34,41H2,1-2H3,(H,45,46)(H,47,48)/t35?,36-,37+/m1/s1
InChIKey
IFRPSJGYJYXETK-FUYIYIERSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-(10-hydroxyoctadecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

779.53125 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 780.53853 283.9
[M+Na]+ 802.52047 284.4
[M-H]- 778.52397 279.8
[M+NH4]+ 797.56507 290.5
[M+K]+ 818.49441 287.5
[M+H-H2O]+ 762.52851 273.4
[M+HCOO]- 824.52945 272.6
[M+CH3COO]- 838.54510 290.4
[M+Na-2H]- 800.50592 261.9
[M]+ 779.53070 281.2
[M]- 779.53180 281.2
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.