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CHEBI:57672 - 7-O-acetylsalutaridinol(1+)

Default Structure
ChEBI IDCHEBI:57672
ChEBI Name7-O-acetylsalutaridinol(1+)
Stars
ASCII Name7-O-acetylsalutaridinol(1+)
DefinitionThe conjugate acid of 7-O-acetylsalutaridinol arising from protonation of the tertiary amino function.
Last Modified18 February 2015
DownloadsMolfile
FormulaC21H26NO5
Net Charge+1
Average Mass372.441
Monoisotopic Mass372.18055
SMILESCOC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c42)C3=C[C@@H]1OC(C)=O
InChIInChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/p+1/t15-,17+,21+/m1/s1
InChIKeyDNOMLUPMYHAJIY-KUDFPVQQSA-O
ChEBI Ontology
Outgoing Relation(s)
7-O-acetylsalutaridinol(1+) (CHEBI:57672) is a ammonium ion derivative (CHEBI:35274)
7-O-acetylsalutaridinol(1+) (CHEBI:57672) is conjugate acid of 7-O-acetylsalutaridinol (CHEBI:16184)
Incoming Relation(s)
7-O-acetylsalutaridinol (CHEBI:16184) is conjugate base of 7-O-acetylsalutaridinol(1+) (CHEBI:57672)
IUPAC Name 
4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium-7α-yl acetate
Synonym  Source
7-O-acetylsalutaridinol cationChEBI
UniProt Name  Source
(7S)-O-acetylsalutaridinolUniProt