(Q115965915)

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] hex-2-enethioate

group of stereoisomers with the chemical formula C₂₇H₄₄N₇O₁₇P₃S

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

863.172723838 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄N₇O₁₇P₃S

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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)C=CCCC

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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/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)

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InChIKey

OINXHIBNZUUIMR-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

OINXHIBNZUUIMR-UHFFFAOYSA-N

1 reference

(Q115965915)

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] hex-2-enethioate

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Identifiers

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