adenylyl selenate (Q27105680)

Adenylylselenate (English)

5 October 2016

chemical formula

C₁₀H₁₄N₅O₁₀PSe

1 reference

Adenylylselenate (English)

5 October 2016

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O[Se](=O)(=O)O)O)O

1 reference

Adenylylselenate (English)

5 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[Se](=O)(=O)O)O)O

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Adenylylselenate (English)

5 October 2016

1 reference

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1

1 reference

Adenylylselenate (English)

XCADVMZZFPIERR-KQYNXXCUSA-N

5 October 2016

InChIKey

2 references

Adenylylselenate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-[Hydroxy(selenonooxy)phosphoryl]adenosine (English)

5 October 2016

1 reference

Adenylylselenate (English)

5 October 2016

ChEBI ID

2485

mapping relation type

2 references

adenylyl selenate (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1

1 reference

Human Metabolome Database ID

HMDB0004112

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XCADVMZZFPIERR-KQYNXXCUSA-N

1 reference

adenylyl selenate (English)