(Q115966213)

English

Phytanoyl-coenzyme A; (Acyl-CoA); [M+H]+

group of stereoisomers with the chemical formula C₄₁H₇₄N₇O₁₇P₃S

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Statements

group of stereoisomers

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chemical compound

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1,061.407474798 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₄N₇O₁₇P₃S

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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(C)CCCC(C)CCCC(C)CCCC(C)C

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1 reference

A community-driven global reconstruction of human metabolism.

Identifiers

InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)

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NRJQGHHZMSOUEN-UHFFFAOYSA-N

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1 reference

3 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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