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CHEBI:39994 - 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE

Default Structure
ChEBI IDCHEBI:39994
ChEBI Name4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H21N7O9P
Net Charge+1
Average Mass462.336
Monoisotopic Mass462.11329
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])OC(=O)[C@]([H])(C([H])([H])C(=O)N([H])[H])[N+]([H])([H])[H]
InChIInChI=1S/C14H20N7O9P/c15-5(1-7(16)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)21-4-20-8-11(17)18-3-19-12(8)21/h3-6,9-10,13,23-24H,1-2,15H2,(H2,16,22)(H,26,27)(H2,17,18,19)/p+1/t5-,6+,9+,10+,13+/m0/s1
InChIKeyBZHVCXQAFQWXPZ-VWJPMABRSA-O
ChEBI Ontology
Outgoing Relation(s)
4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE (CHEBI:39994) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATEPDBeChem
5'-O-[(R)-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosinePDBeChem
Manual XrefsDatabases
4ADPDBeChem