CHEBI:176944 - 4'-Oxonebramine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-Oxonebramine
ChEBI ID CHEBI:176944
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H24N4O5
Net Charge 0
Average Mass 304.347
Monoisotopic Mass 304.17467
InChI InChI=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
InChIKey BRAUSRPRKVPZCF-KMMARAAXSA-N
SMILES O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H](C(=O)C[C@H]2N)CN
Metabolite of Species Details
Streptococcus mutans (NCBI:txid1309) Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
C21258 KEGG COMPOUND
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