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CHEBI:138619 - D-alanyl-AMP zwitterion

ChEBI IDCHEBI:138619
ChEBI NameD-alanyl-AMP zwitterion
Stars
ASCII NameD-alanyl-AMP zwitterion
DefinitionA zwitterion resulting from the transfer of a proton from the phosphate to the amino group of D-alanyl-AMP; major species at pH 7.3.
Last Modified23 September 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC13H19N6O8P
Net Charge0
Average Mass418.303
Monoisotopic Mass418.10020
SMILESC[C@@H]([NH3+])C(=O)OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6-,8-,9-,12-/m1/s1
InChIKeyISYFCRWDMNBLTM-VQPBACBFSA-N
ChEBI Ontology
Outgoing Relation(s)
D-alanyl-AMP zwitterion (CHEBI:138619) is a zwitterion (CHEBI:27369)
D-alanyl-AMP zwitterion (CHEBI:138619) is tautomer of D-alanyl-AMP (CHEBI:139296)
Incoming Relation(s)
D-alanyl-AMP (CHEBI:139296) is tautomer of D-alanyl-AMP zwitterion (CHEBI:138619)
IUPAC Name 
5'-O-({[(2R)-2-azaniumylpropanoyl]oxy}phosphinato)adenosine
Synonym  Source
D-alanyl adenylate zwitterionChEBI
UniProt Name  Source
D-alanyl-5'-AMPUniProt
Manual XrefsDatabases
CPD-19306MetaCyc
Citations