CID 123986

Galactosylhydroxylysine

Structural Information

Molecular Formula
C12H24N2O8
SMILES
C(CC(CN)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C12H24N2O8/c13-3-5(1-2-6(14)11(19)20)21-12-10(18)9(17)8(16)7(4-15)22-12/h5-10,12,15-18H,1-4,13-14H2,(H,19,20)/t5?,6-,7+,8-,9-,10+,12+/m0/s1
InChIKey
OWGKYELXGFKIHH-ODPZDSJBSA-N
Compound name
(2S)-2,6-diamino-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

12
Patents

324.15326 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.160536 173.4
[M+Na]+ 347.142478 174.7
[M-H]- 323.145984 169.1
[M+NH4]+ 342.187083 181.3
[M+K]+ 363.116418 175.0
[M+H-H2O]+ 307.150520 166.5
[M+HCOO]- 369.151461 183.5
[M+CH3COO]- 383.167111 205.5
[M+Na-2H]- 345.127926 168.3
[M]+ 324.15271142 168.6
[M]- 324.15380858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe