(Q115966139)

English

1-[5-[[[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid

group of stereoisomers with the chemical formula C₂₁H₂₇N₆O₁₅P₂⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

665.10041384409 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₇N₆O₁₅P₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)C1=CC=C[N+](=C1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C(O)C2O

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found in taxon

Homo sapiens

1 reference

stated in

A community-driven global reconstruction of human metabolism.

Escherichia coli

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1

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InChIKey

SENPVEZBRZQVST-UHFFFAOYSA-O

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

SENPVEZBRZQVST-UHFFFAOYSA-O

1 reference

(Q115966139)

1-[5-[[[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid

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