(Q115965884)

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] tetradec-2-enethioate

group of stereoisomers with the chemical formula C₃₅H₆₀N₇O₁₇P₃S

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Statements

instance of

group of stereoisomers

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subclass of

purine nucleotides

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mass

975.29792435 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₀N₇O₁₇P₃S

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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=CCCCCCCCCCCC

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found in taxon

Homo sapiens

1 reference

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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)

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InChIKey

MBCVYCOKMMMWLX-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

MBCVYCOKMMMWLX-UHFFFAOYSA-N

1 reference

(Q115965884)

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] tetradec-2-enethioate

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Identifiers

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