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

Default Structure
ChEBI IDCHEBI:146208
ChEBI Name(4aS,10bR)-oxomaritidine(1+)
Stars
ASCII Name(4aS,10bR)-oxomaritidine(1+)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H20NO3
Net Charge+1
Average Mass274.340
Monoisotopic Mass274.14377
SMILES[H][C@]12CC(=O)CC[C@@]13CC[NH+]2Cc1cc(O)c(OC)cc13
InChIInChI=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
InChIKeyPYHUCQARENXJND-HOTGVXAUSA-O
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(4aR,10bS)-oxomaritidine(1+) (CHEBI:146209) is enantiomer of (4aS,10bR)-oxomaritidine(1+) (CHEBI:146208)
UniProt Name  Source
(10bR,4aS)-oxomaritidineUniProt
Manual XrefsDatabases
CPD-19444MetaCyc
Citations