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CHEBI:45704 - ADENOSINE PHOSPHONOACETIC ACID

Default Structure
ChEBI IDCHEBI:45704
ChEBI NameADENOSINE PHOSPHONOACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H16N5O8P
Net Charge0
Average Mass389.261
Monoisotopic Mass389.07365
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])OC(=O)C([H])([H])P(=O)(O[H])O[H]
InChIInChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(20)8(19)5(25-12)1-24-6(18)2-26(21,22)23/h3-5,8-9,12,19-20H,1-2H2,(H2,13,14,15)(H2,21,22,23)/t5-,8-,9-,12-/m1/s1
InChIKeyKJNLSEOJEFDELT-JJNLEZRASA-N
ChEBI Ontology
Outgoing Relation(s)
ADENOSINE PHOSPHONOACETIC ACID (CHEBI:45704) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-(phosphonoacetyl)adenosinePDBeChem
ADENOSINE PHOSPHONOACETIC ACIDPDBeChem
Manual XrefsDatabases
SONPDBeChem