(Q115971286)

English

[2-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-hydroxytetradecanoate

group of stereoisomers with the chemical formula C₄₃H₇₇N₃O₂₀P₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,017.457565124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₇₇N₃O₂₀P₂

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canonical SMILES

O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C3NC(=O)CC(O)CCCCCCCCCCC)C(O)C2O

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found in taxon

Escherichia coli

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stated in

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

Identifiers

InChI

InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)

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InChIKey

KOJCFMYSTWNMQW-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KOJCFMYSTWNMQW-UHFFFAOYSA-N

1 reference

(Q115971286)

[2-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-hydroxytetradecanoate

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Identifiers

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