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(Q115966260)
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English
N-[5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carbonyl]aspartic acid
group of stereoisomers with the chemical formula C₁₃H₁₉N₄O₁₂P
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
454.073708678
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₉N₄O₁₂P
0 references
canonical SMILES
O=C(O)CC(NC(=O)C=1N=CN(C1N)C2OC(COP(=O)(O)O)C(O)C2O)C(=O)O
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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/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)
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InChIKey
NAQGHJTUZRHGAC-UHFFFAOYSA-N
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PubChem CID
981
1 reference
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
57607066
1 reference
stated in
UniChem
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