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CHEBI:142531 - serpentine(1+)

ChEBI IDCHEBI:142531
ChEBI Nameserpentine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3.
Last Modified7 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H21N2O3
Net Charge+1
Average Mass349.410
Monoisotopic Mass349.15467
SMILES[H][C@]12Cc3c4nc5ccccc5c4cc[n+]3C[C@]1([H])[C@H](C)OC=C2C(=O)OC
InChIInChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1/t12-,15-,16+/m0/s1
InChIKeyWYTGDNHDOZPMIW-VBNZEHGJSA-O
ChEBI Ontology
Outgoing Relation(s)
serpentine(1+) (CHEBI:142531) is a organic cation (CHEBI:25697)
serpentine(1+) (CHEBI:142531) is conjugate acid of serpentine (CHEBI:9119)
Incoming Relation(s)
serpentine (CHEBI:9119) is conjugate base of serpentine(1+) (CHEBI:142531)
UniProt Name  Source
serpentineUniProt