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CHEBI:58253 - (S)-norcoclaurinium(1+)

ChEBI IDCHEBI:58253
ChEBI Name(S)-norcoclaurinium(1+)
Stars
ASCII Name(S)-norcoclaurinium(1+)
DefinitionAn organic cation that is the conjugate base of (S)-norcoclaurine: major species at pH 7.3.
Last Modified11 January 2012
DownloadsMolfile
FormulaC16H18NO3
Net Charge+1
Average Mass272.324
Monoisotopic Mass272.12812
SMILESOc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1
InChIInChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/p+1/t14-/m0/s1
InChIKeyWZRCQWQRFZITDX-AWEZNQCLSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-norcoclaurinium(1+) (CHEBI:58253) is a ammonium ion derivative (CHEBI:35274)
(S)-norcoclaurinium(1+) (CHEBI:58253) is a organic cation (CHEBI:25697)
(S)-norcoclaurinium(1+) (CHEBI:58253) is conjugate acid of (S)-norcoclaurine (CHEBI:17729)
Incoming Relation(s)
(S)-norcoclaurine (CHEBI:17729) is conjugate base of (S)-norcoclaurinium(1+) (CHEBI:58253)
IUPAC Name 
(1S)-6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolinium
Synonyms  Source
(S)-norcoclauriniumChEBI
(S)-norcoclaurinium cationChEBI
UniProt Name  Source
(S)-norcoclaurineUniProt