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

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ChEBI Name (4aR,10bS)-noroxomaritidine(1+)
ChEBI ID CHEBI:133996
ChEBI ASCII Name (4aR,10bS)-noroxomaritidine(1+)
Definition An organic cation obtained by protonation of the tertiary amino group of (4aR,10bS)-noroxomaritidine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C16H18NO3
Net Charge +1
Average Mass 272.320
Monoisotopic Mass 272.12812
InChI InChI=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
InChIKey VEXDOCFQMVMPHJ-HZPDHXFCSA-O
SMILES C1(=C(C=C2C(=C1)[C@]34[C@]([NH+](C2)CC3)(CC(C=C4)=O)[H])O)OC
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(10bS,4aR)-noroxomaritidine UniProt
Citation Waiting for Citations Type Source
26941773 PubMed citation SUBMITTER
Last Modified
15 March 2017