(Q115972280)

English

[5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate

group of stereoisomers with the chemical formula C₁₀H₁₈N₅O₂₀P₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

682.923321126 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₈N₅O₂₀P₅

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canonical SMILES

O=C1N=C(N)NC2=C1N=CN2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C3O

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found in taxon

Escherichia coli

1 reference

stated in

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Identifiers

InChI

InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)

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InChIKey

KCPMACXZAITQAX-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KCPMACXZAITQAX-UHFFFAOYSA-N

1 reference

(Q115972280)

[5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate

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Identifiers

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