CHEBI:133995 - (4aS,10bR)-noroxomaritidine(1+)

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ChEBI Name (4aS,10bR)-noroxomaritidine(1+)
ChEBI ID CHEBI:133995
ChEBI ASCII Name (4aS,10bR)-noroxomaritidine(1+)
Definition An organic cation obtained by protonation of the tertiary amino group of (4aS,10bR)-noroxomaritidine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
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-/m0/s1
InChIKey VEXDOCFQMVMPHJ-HOTGVXAUSA-O
SMILES C1(=C(C=C2C(=C1)[C@@]34[C@@]([NH+](C2)CC3)(CC(C=C4)=O)[H])O)OC
ChEBI Ontology
Outgoing (4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995) is a ammonium ion derivative (CHEBI:35274)
(4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995) is a organic cation (CHEBI:25697)
(4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995) is conjugate acid of (4aS,10bR)-noroxomaritidine (CHEBI:136557)
(4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995) is enantiomer of (4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996)
Incoming (4aS,10bR)-noroxomaritidine (CHEBI:136557) is conjugate base of (4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995)
(4aR,10bS)-noroxomaritidine(1+) (CHEBI:133996) is enantiomer of (4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995)
IUPAC Name
(4aS,10bR)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
Synonym Source
(10bR,4aS)-noroxomaritidine UniProt
Citation Type Source
26941773 PubMed citation SUBMITTER
Last Modified
15 March 2017