CID 5283554

Dolichol-18

Structural Information

Molecular Formula
C90H148O
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)/CCC=C(C)C)CCO
InChI
InChI=1S/C90H148O/c1-73(2)37-20-38-74(3)39-21-40-75(4)41-22-42-76(5)43-23-44-77(6)45-24-46-78(7)47-25-48-79(8)49-26-50-80(9)51-27-52-81(10)53-28-54-82(11)55-29-56-83(12)57-30-58-84(13)59-31-60-85(14)61-32-62-86(15)63-33-64-87(16)65-34-66-88(17)67-35-68-89(18)69-36-70-90(19)71-72-91/h37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,90-91H,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70-72H2,1-19H3/b74-39+,75-41+,76-43-,77-45-,78-47-,79-49-,80-51-,81-53-,82-55-,83-57-,84-59-,85-61-,86-63-,87-65-,88-67-,89-69-/t90-/m0/s1
InChIKey
WKJSZJBJNUWXFX-MULAYZFRSA-N
Compound name
(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62E,66E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71-octadecamethyldoheptaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70-heptadecaen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1245.1531 Da
Monoisotopic Mass

32.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1246.1604 330.9
[M+Na]+ 1268.1423 345.7
[M-H]- 1244.1458 330.0
[M+NH4]+ 1263.1869 357.7
[M+K]+ 1284.1163 369.0
[M+H-H2O]+ 1228.1504 336.4
[M+HCOO]- 1290.1513 294.6
[M+CH3COO]- 1304.1670 371.7
[M+Na-2H]- 1266.1278 319.3
[M]+ 1245.1526 337.8
[M]- 1245.1536 337.8
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.