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CHEBI:176944 - 4'-Oxonebramine

ChEBI IDCHEBI:176944
ChEBI Name4'-Oxonebramine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24N4O5
Net Charge0
Average Mass304.347
Monoisotopic Mass304.17467
SMILESNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)CC1=O
InChIInChI=1S/C12H24N4O5/c13-3-8-7(17)2-6(16)12(20-8)21-11-5(15)1-4(14)9(18)10(11)19/h4-6,8-12,18-19H,1-3,13-16H2/t4-,5+,6-,8-,9+,10-,11-,12-/m1/s1
InChIKeyBRAUSRPRKVPZCF-KMMARAAXSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
4'-Oxonebramine (CHEBI:176944) is a amino cyclitol (CHEBI:61689)
IUPAC Name 
(2R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxan-3-one
Manual XrefsDatabases
C21258KEGG COMPOUND