CID 6912794

Amino [(2z,6z,10z,14z,18z,22z,26z,30z,34e)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] phosphate

Structural Information

Molecular Formula
C55H92NO8P
SMILES
CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(OC1C(C(C(O1)CO)O)O)ON)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C55H92NO8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-65(60,64-56)63-55-54(59)53(58)52(41-57)62-55/h21,23,25,27,29,31,33,35,37,39,52-55,57-59H,12-20,22,24,26,28,30,32,34,36,38,40-41,56H2,1-11H3/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-
InChIKey
VZRAVAFKIIADKI-MZAWYVIPSA-N
Compound name
amino [(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

925.65607 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 926.66335 290.3
[M+Na]+ 948.64529 300.9
[M-H]- 924.64879 294.6
[M+NH4]+ 943.68989 305.5
[M+K]+ 964.61923 307.0
[M+H-H2O]+ 908.65333 284.7
[M+HCOO]- 970.65427 279.5
[M+CH3COO]- 984.66992 319.8
[M+Na-2H]- 946.63074 272.7
[M]+ 925.65552 288.9
[M]- 925.65662 288.9
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.