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CHEBI:133996 - (4aR,10bS)-noroxomaritidine(1+)

ChEBI IDCHEBI:133996
ChEBI Name(4aR,10bS)-noroxomaritidine(1+)
Stars
ASCII Name(4aR,10bS)-noroxomaritidine(1+)
DefinitionAn organic cation obtained by protonation of the tertiary amino group of (4aR,10bS)-noroxomaritidine; major species at pH 7.3.
Last Modified15 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H18NO3
Net Charge+1
Average Mass272.324
Monoisotopic Mass272.12812
SMILES[H][C@@]12CC(=O)C=C[C@]13CC[NH+]2Cc1cc(O)c(OC)cc13
InChIInChI=1S/C16H17NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,15,19H,4-5,7,9H2,1H3/p+1/t15-,16-/m1/s1
InChIKeyVEXDOCFQMVMPHJ-HZPDHXFCSA-O
ChEBI Ontology
Outgoing Relation(s)
(4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996) is a ammonium ion derivative (CHEBI:35274)
(4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996) is a organic cation (CHEBI:25697)
(4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996) is conjugate acid of (4aR,10bS)-noroxomaritidine (CHEBI:136560)
(4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996) is enantiomer of (4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995)
Incoming Relation(s)
(4aR,10bS)-noroxomaritidine (CHEBI:136560) is conjugate base of (4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996)
(4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995) is enantiomer of (4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996)
IUPAC Name 
(4aR,10bS)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
UniProt Name  Source
(10bS,4aR)-noroxomaritidineUniProt
Citations