EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85988 - avibactam(1−)

ChEBI IDCHEBI:85988
ChEBI Nameavibactam(1−)
Stars
ASCII Nameavibactam(1-)
DefinitionAn organosulfate oxoanion that is the conjugate base of avibactam, obtained by deprotonation of the sulfo group.
Last Modified10 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC7H10N3O6S
Net Charge-1
Average Mass264.239
Monoisotopic Mass264.02958
SMILESNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-]
InChIInChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/p-1/t4-,5+/m1/s1
InChIKeyNDCUAPJVLWFHHB-UHNVWZDZSA-M
ChEBI Ontology
Outgoing Relation(s)
avibactam(1−) (CHEBI:85988) is a organosulfate oxoanion (CHEBI:58958)
avibactam(1−) (CHEBI:85988) is conjugate base of avibactam (CHEBI:85984)
Incoming Relation(s)
avibactam sodium (CHEBI:85982) has part avibactam(1−) (CHEBI:85988)
avibactam (CHEBI:85984) is conjugate acid of avibactam(1−) (CHEBI:85988)
IUPAC Name 
({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy}sulfonyl)oxidanide
Synonym  Source
avibactam anionChEBI