(Q115966029)

English

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxyhexadecanethioate

group of stereoisomers with the chemical formula C₃₇H₆₆N₇O₁₈P₃S

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Statements

instance of

group of stereoisomers

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subclass of

purine nucleotides

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mass

1,021.339789162 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆N₇O₁₈P₃S

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canonical SMILES

O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(O)CCCCCCCCCCCCC

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found in taxon

Homo sapiens

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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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)

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InChIKey

DEHLMTDDPWDRDR-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

DEHLMTDDPWDRDR-UHFFFAOYSA-N

1 reference

(Q115966029)

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxyhexadecanethioate

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Identifiers

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