CID 5283553

Dolichol-17

Structural Information

Molecular Formula
C85H140O
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)/CCC=C(C)C)CCO
InChI
InChI=1S/C85H140O/c1-69(2)35-19-36-70(3)37-20-38-71(4)39-21-40-72(5)41-22-42-73(6)43-23-44-74(7)45-24-46-75(8)47-25-48-76(9)49-26-50-77(10)51-27-52-78(11)53-28-54-79(12)55-29-56-80(13)57-30-58-81(14)59-31-60-82(15)61-32-62-83(16)63-33-64-84(17)65-34-66-85(18)67-68-86/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,85-86H,19-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66-68H2,1-18H3/b70-37+,71-39+,72-41-,73-43-,74-45-,75-47-,76-49-,77-51-,78-53-,79-55-,80-57-,81-59-,82-61-,83-63-,84-65-/t85-/m0/s1
InChIKey
JHHNQEWLIKGELH-GIXGKHMPSA-N
Compound name
(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58E,62E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67-heptadecamethyloctahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66-hexadecaen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1177.0905 Da
Monoisotopic Mass

31.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1178.0978 325.7
[M+Na]+ 1200.0797 340.2
[M-H]- 1176.0832 324.3
[M+NH4]+ 1195.1243 350.9
[M+K]+ 1216.0537 361.9
[M+H-H2O]+ 1160.0878 330.8
[M+HCOO]- 1222.0887 291.9
[M+CH3COO]- 1236.1044 363.2
[M+Na-2H]- 1198.0652 313.9
[M]+ 1177.0900 331.0
[M]- 1177.0910 331.0
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

No patent data available for this compound.