(Q115966162)

English

3-Hydroxyoctadecanoyl-coenzyme A

group of stereoisomers with the chemical formula C₃₉H₇₀N₇O₁₈P₃S

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Statements

group of stereoisomers

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chemical compound

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1,049.37108929 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₇₀N₇O₁₈P₃S

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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)CCCCCCCCCCCCCCC

0 references

1 reference

A community-driven global reconstruction of human metabolism.

Escherichia coli

1 reference

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Identifiers

InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)

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WZMAIEGYXCOYSH-UHFFFAOYSA-N

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1 reference

3 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WZMAIEGYXCOYSH-UHFFFAOYSA-N

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