CID 5283552

Dolichol-19

Structural Information

Molecular Formula
C95H156O
SMILES
C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO
InChI
InChI=1S/C95H156O/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28-54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)71-37-72-94(19)73-38-74-95(20)75-76-96/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,95-96H,21-38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74-76H2,1-20H3/b78-41+,79-43+,80-45-,81-47-,82-49-,83-51-,84-53-,85-55-,86-57-,87-59-,88-61-,89-63-,90-65-,91-67-,92-69-,93-71-,94-73-/t95-/m0/s1
InChIKey
OTRSDHXDHPEZNS-HMARKXMOSA-N
Compound name
(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66E,70E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75-nonadecamethylhexaheptaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74-octadecaen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1313.2156 Da
Monoisotopic Mass

34.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1314.2229 335.3
[M+Na]+ 1336.2048 350.4
[M-H]- 1312.2083 334.9
[M+NH4]+ 1331.2494 363.8
[M+K]+ 1352.1788 375.4
[M+H-H2O]+ 1296.2129 341.2
[M+HCOO]- 1358.2138 296.6
[M+CH3COO]- 1372.2295 379.5
[M+Na-2H]- 1334.1903 324.2
[M]+ 1313.2151 344.0
[M]- 1313.2161 344.0
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

patents stripe