CID 138911149

Chebi:144611

Structural Information

Molecular Formula
C11H23N2O9P
SMILES
C(CCNCC(=O)[C@@H]([C@@H](CO)O)OP(=O)(O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(15)10(9(16)6-14)22-23(19,20)21/h7,9-10,13-14,16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
InChIKey
YTGLSMMTLBLOES-SFGNSQDASA-N
Compound name
(2S)-2-amino-6-[[(3R,4R)-4,5-dihydroxy-2-oxo-3-phosphonooxypentyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1141 Da
Monoisotopic Mass

-8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12138 180.7
[M+Na]+ 381.10332 188.6
[M+NH4]+ 376.14792 186.5
[M+K]+ 397.07726 183.6
[M-H]- 357.10682 185.9
[M+Na-2H]- 379.08877 190.9
[M]+ 358.11355 182.8
[M]- 358.11465 182.8
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.