(Q104939352)

English

[[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

group of stereoisomers with the chemical formula C₂₁H₂₉N₇O₁₄P₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

665.124771868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₉N₇O₁₄P₂

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canonical SMILES

NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1

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isomeric SMILES

NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)C=CC1

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found in taxon

Escherichia coli

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stated in

Escherichia coli flavohemoglobin is an efficient alkylhydroperoxide reductase

Arabidopsis thaliana

3 references

stated in

The peroxisomal NAD+ carrier of Arabidopsis thaliana transports coenzyme A and its derivatives

stated in

Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress

stated in

Isoprenoid biosynthesis in plants - 2C-methyl-D-erythritol-4-phosphate synthase (IspC protein) of Arabidopsis thaliana.

Oryza sativa

1 reference

stated in

Simultaneous determination of the main metabolites in rice leaves using capillary electrophoresis mass spectrometry and capillary electrophoresis diode array detection

tomato

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stated in

Plant cholesterol biosynthetic pathway overlaps with phytosterol metabolism.

Identifiers

InChI

InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11+,13+,14-,15+,16+,20-,21+/m1/s1

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InChIKey

BOPGDPNILDQYTO-YKHMDQMUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BOPGDPNILDQYTO-YKHMDQMUSA-N

(Q104939352)

[[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

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Identifiers

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