(Q115965971)

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-oxoicosanethioate

group of stereoisomers with the chemical formula C₄₁H₇₂N₇O₁₈P₃S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,075.386739354 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₂N₇O₁₈P₃S

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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)CCCCCCCCCCCCCCCCC

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found in taxon

Homo sapiens

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stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)

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InChIKey

FYBVHNZJDVUVLJ-UHFFFAOYSA-N

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1 reference

3 January 2023

inferred from InChIKey

(Q115965971)

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-oxoicosanethioate

Statements

Identifiers

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