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CHEBI:39791 - (2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACID

Default Structure
ChEBI IDCHEBI:39791
ChEBI Name(2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H22N5O9P
Net Charge0
Average Mass435.330
Monoisotopic Mass435.11551
SMILES[H]OC([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])N([H])c1nc([H])nc2c1nc([H])n2[C@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])C1([H])[H]
InChIInChI=1S/C14H22N5O9P/c20-3-9(23)8(22)2-15-13-12-14(17-5-16-13)19(6-18-12)11-1-7(21)10(28-11)4-27-29(24,25)26/h5-11,20-23H,1-4H2,(H,15,16,17)(H2,24,25,26)/t7-,8+,9-,10+,11+/m0/s1
InChIKeyAIFKZZYQDFSUSI-OGBGREFGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACID (CHEBI:39791) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-deoxy-N-[(2R,3S)-2,3,4-trihydroxybutyl]adenosine 5'-(dihydrogen phosphate)PDBeChem
(2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACIDPDBeChem
Manual XrefsDatabases
2BUPDBeChem