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
4
Annotation Hits

0
References

1383
Patents

309.106 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.113276 165.7
[M+Na]+ 332.095218 168.5
[M-H]- 308.098724 162.2
[M+NH4]+ 327.139823 174.8
[M+K]+ 348.069158 169.2
[M+H-H2O]+ 292.103260 159.5
[M+HCOO]- 354.104201 176.2
[M+CH3COO]- 368.119851 198.2
[M+Na-2H]- 330.080666 162.1
[M]+ 309.10545142 163.0
[M]- 309.10654858 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