CID 129320296

L-glutamyl-amp

Structural Information

Molecular Formula
C15H21N6O10P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CCC(=O)O)N)O)O)N
InChI
InChI=1S/C15H21N6O10P/c16-6(1-2-8(22)23)15(26)31-32(27,28)29-3-7-10(24)11(25)14(30-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,24-25H,1-3,16H2,(H,22,23)(H,27,28)(H2,17,18,19)/t6-,7+,10+,11+,14+/m0/s1
InChIKey
KQRQKNUGLKGTSJ-LTOLZBHSSA-N
Compound name
(4S)-4-amino-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.10568 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.11296 198.8
[M+Na]+ 499.09490 200.1
[M+NH4]+ 494.13950 196.0
[M+K]+ 515.06884 206.7
[M-H]- 475.09840 193.8
[M+Na-2H]- 497.08035 207.9
[M]+ 476.10513 196.1
[M]- 476.10623 196.1
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.