(Q105143175)

English

[[(2S,3R,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate

group of stereoisomers with the chemical formula C₁₇H₂₇N₅O₁₆P₂

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Statements

instance of

group of stereoisomers

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1 reference

619.092803044 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₇N₅O₁₆P₂

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canonical SMILES

O=P(O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OP(=O)(O)OC4OC(C(O)CO)C(O)C(O)C4O

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isomeric SMILES

Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O

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found in taxon

Escherichia coli

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stated in

The rfaE gene from Escherichia coli encodes a bifunctional protein involved in biosynthesis of the lipopolysaccharide core precursor ADP-L-glycero-D-manno-heptose

Identifiers

InChI

InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9-,10-,11+,12-,13-,16-,17+/m0/s1

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InChIKey

KMSFWBYFWSKGGR-MIFCCBMHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105143175)

[[(2S,3R,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate

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