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CHEBI:71487 - chanoclavine-I aldehyde(1+)

ChEBI IDCHEBI:71487
ChEBI Namechanoclavine-I aldehyde(1+)
Stars
DefinitionAn indole alkaloid cation that is the conjugate acid of chanoclavine-I aldehyde obtained by protonation of the secondary amino group. Major species at pH 7.3
Last Modified25 April 2013
SubmitterKAX
DownloadsMolfile
FormulaC16H19N2O
Net Charge+1
Average Mass255.341
Monoisotopic Mass255.14919
SMILESC[NH2+][C@@H]1Cc2cnc3cccc(c23)[C@H]1/C=C(\C)C=O
InChIInChI=1S/C16H18N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8-9,13,15,17-18H,7H2,1-2H3/p+1/b10-6+/t13-,15-/m1/s1
InChIKeyXFKPUSAZRRAPSC-HEESEWQSSA-O
ChEBI Ontology
Outgoing Relation(s)
chanoclavine-I aldehyde(1+) (CHEBI:71487) is a indole alkaloid cation (CHEBI:60521)
chanoclavine-I aldehyde(1+) (CHEBI:71487) is conjugate acid of chanoclavine-I aldehyde (CHEBI:64429)
Incoming Relation(s)
chanoclavine-I aldehyde (CHEBI:64429) is conjugate base of chanoclavine-I aldehyde(1+) (CHEBI:71487)
IUPAC Name 
(4R,5R)-N-methyl-5-[(1E)-2-methyl-3-oxoprop-1-en-1-yl]-1,3,4,5-tetrahydrobenzo[cd]indol-4-aminium
UniProt Name  Source
chanoclavine-I aldehydeUniProt