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CHEBI:40716 - ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE

Default Structure
ChEBI IDCHEBI:40716
ChEBI NameASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H19N6O9P
Net Charge0
Average Mass446.313
Monoisotopic Mass446.09511
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)C([H])([H])[C@]1([H])O[H])N([H])[H]
InChIInChI=1S/C14H19N6O9P/c15-6(1-10(22)23)14(24)29-30(25,26)27-3-8-7(21)2-9(28-8)20-5-19-11-12(16)17-4-18-13(11)20/h4-9,21H,1-3,15H2,(H,22,23)(H,25,26)(H2,16,17,18)/t6-,7-,8+,9+/m0/s1
InChIKeyHIZUKUAUIJEUGQ-RBXMUDONSA-N
ChEBI Ontology
Outgoing Relation(s)
ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE (CHEBI:40716) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosinePDBeChem
ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATEPDBeChem
Manual XrefsDatabases
AMDPDBeChem