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CHEBI:65330 - (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine(1−)

ChEBI IDCHEBI:65330
ChEBI Name(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine(1−)
Stars
ASCII Name(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine(1-)
DefinitionA β-amino-acid anion obtained by deprotonation of the carboxy group of (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine.
Last Modified25 July 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H26N8O9P
Net Charge-1
Average Mass517.416
Monoisotopic Mass517.15658
SMILESNCCCOP(=O)(NC(=O)[C@@H](N)CC(=O)[O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/p-1/t8-,9+,12+,13+,17+,35?/m0/s1
InChIKeyCBRVFFLBHDTTIM-AYDCQREWSA-M
ChEBI Ontology
Outgoing Relation(s)
(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine(1−) (CHEBI:65330) is a β-amino-acid anion (CHEBI:49095)
IUPAC Name 
5'-O-[{[(2S)-2-amino-3-carboxylatopropanoyl]amino}(3-aminopropoxy)phosphoryl]adenosine
Synonym  Source
(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine anionChEBI