(Q115966181)

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] 2,6,10,14-tetramethylpentadecanethioate

group of stereoisomers with the chemical formula C₄₀H₇₂N₇O₁₇P₃S

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,047.391824734 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₇₂N₇O₁₇P₃S

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canonical SMILES

O=C(NCCSC(=O)C(C)CCCC(C)CCCC(C)CCCC(C)C)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

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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/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)

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InChIKey

XYJPSQPVCBNZHT-UHFFFAOYSA-N

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1 reference

3 January 2023

inferred from InChIKey

Human Metabolome Database ID

HMDB0300699

1 reference

based on heuristic

inferred from InChIKey

(Q115966181)

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] 2,6,10,14-tetramethylpentadecanethioate

Statements

Identifiers

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