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 203.3
[M+Na]+ 499.09490 205.9
[M-H]- 475.09840 196.6
[M+NH4]+ 494.13950 203.0
[M+K]+ 515.06884 204.8
[M+H-H2O]+ 459.10294 186.9
[M+HCOO]- 521.10388 205.3
[M+CH3COO]- 535.11953 232.5
[M+Na-2H]- 497.08035 204.8
[M]+ 476.10513 209.0
[M]- 476.10623 209.0
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

No patent data available for this compound.