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(Q115971298)
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English
Oxalyl-coenzyme A; (Acyl-CoA); [M+H]+
group of stereoisomers with the chemical formula C₂₃H₃₆N₇O₁₉P₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
839.099952822
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₆N₇O₁₉P₃S
0 references
canonical SMILES
O=C(O)C(=O)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
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Identifiers
InChI
InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)
0 references
InChIKey
QVXMZFTWJVBUHP-UHFFFAOYSA-N
0 references
PubChem CID
973
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVXMZFTWJVBUHP-UHFFFAOYSA-N
UniChem compound ID
48383899
1 reference
stated in
UniChem
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