(Q27133494)

threonyl adenylate (English)

7 October 2016

chemical formula

C₁₄H₂₁N₆O₉P

1 reference

threonyl adenylate (English)

7 October 2016

canonical SMILES

CC(C(C(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)N)O

1 reference

threonyl adenylate (English)

7 October 2016

isomeric SMILES

C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)N)O

1 reference

threonyl adenylate (English)

InChI=1S/C14H21N6O9P/c1-5(21)7(15)14(24)29-30(25,26)27-2-6-9(22)10(23)13(28-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-7,9-10,13,21-23H,2,15H2,1H3,(H,25,26)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

threonyl adenylate (English)

YYBNSQASHCKPHX-DWVDDHQFSA-N

7 October 2016

InChIKey

2 references

threonyl adenylate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

L-threonyl-AMP (English)

7 October 2016

1 reference

5'-O-[{[(2S,3R)-2-Amino-3-hydroxybutanoyl]oxy}(hydroxy)phosphoryl]adenosine (English)

7 October 2016

1 reference

threonyl adenylate (English)

7 October 2016

Reaxys registry number

68657

1 reference

L-threonyl-AMP (English)

7 October 2016

ChEBI ID

64851

mapping relation type

1 reference