(4aS,10bR)-oxomaritidine(1+) (CHEBI:146208)

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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	(4aS,10bR)-oxomaritidine(1+)

ChEBI ID	CHEBI:146208

ChEBI ASCII Name	(4aS,10bR)-oxomaritidine(1+)

Stars	This entity has been manually annotated by a third party.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C16H20NO3

Net Charge

Average Mass

274.339

Monoisotopic Mass

274.14377

InChI

InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,15,19H,2-5,7,9H2,1H3/p+1/t15-,16-/m0/s1

InChIKey

PYHUCQARENXJND-HOTGVXAUSA-O

SMILES

C1(=C(C=C2C(=C1)[C@@]34[C@@]([NH+](C2)CC3)(CC(CC4)=O)[H])O)OC

ChEBI Ontology
Outgoing	(4aS,10bR)-oxomaritidine(1+) (CHEBI:146208) is a ammonium ion derivative (CHEBI:35274) (4aS,10bR)-oxomaritidine(1+) (CHEBI:146208) is a organic cation (CHEBI:25697) (4aS,10bR)-oxomaritidine(1+) (CHEBI:146208) is enantiomer of (4aR,10bS)-oxomaritidine(1+) (CHEBI:146209)

Incoming	(4aR,10bS)-oxomaritidine(1+) (CHEBI:146209) is enantiomer of (4aS,10bR)-oxomaritidine(1+) (CHEBI:146208)

Synonym	Source
(10bR,4aS)-oxomaritidine	UniProt

Citation	Type	Source
27252378	PubMed citation	SUBMITTER