CID 102012172

Glucose glutamate

Structural Information

Molecular Formula
C11H19NO9
SMILES
C(CC(=O)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/C11H19NO9/c12-4(10(18)19)1-2-6(14)21-11-9(17)8(16)7(15)5(3-13)20-11/h4-5,7-9,11,13,15-17H,1-3,12H2,(H,18,19)/t4-,5+,7+,8-,9+,11+/m0/s1
InChIKey
OQWIKYXFAZAALW-FMDYKLJDSA-N
Compound name
(2S)-2-amino-5-oxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1681
Patents

309.106 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11328 165.7
[M+Na]+ 332.09522 168.5
[M-H]- 308.09872 162.2
[M+NH4]+ 327.13982 174.8
[M+K]+ 348.06916 169.2
[M+H-H2O]+ 292.10326 159.5
[M+HCOO]- 354.10420 176.2
[M+CH3COO]- 368.11985 198.2
[M+Na-2H]- 330.08067 162.1
[M]+ 309.10545 163.0
[M]- 309.10655 163.0
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