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(Q76009734)
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English
5'-N-methylcarboxamidoadenosine
chemical compound
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
MECA
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
MECA.svg
700 × 280; 26 KB
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mass
294.10765292799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₄N₆O₄
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canonical SMILES
CNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
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Identifiers
InChI
InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
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InChIKey
PLYRYAHDNXANEG-QMWPFBOUSA-N
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CAS Registry Number
35788-27-3
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stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
98567
1 reference
matched by identifier from
InChIKey
InChIKey
PLYRYAHDNXANEG-QMWPFBOUSA-N
UniChem compound ID
620795
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101168111
1 reference
matched by identifier from
InChIKey
InChIKey
PLYRYAHDNXANEG-QMWPFBOUSA-N
PDB ligand ID
NWQ
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