EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232515 - campesine E(1+)

ChEBI IDCHEBI:232515
ChEBI Namecampesine E(1+)
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC34H47N6O
Net Charge+1
Average Mass555.791
Monoisotopic Mass555.38059
SMILESCC(=O)N1C[C@@H]2CC34c5ccccc5N[C@@H]3N3C[C@H](C(C)C)[NH2+]CC3CC43c4ccccc4N[C@@H]3N2C[C@@H]1C(C)C
InChIInChI=1S/C34H46N6O/c1-20(2)29-18-39-23(16-35-29)14-33-25-10-6-8-12-27(25)37-32(33)40-19-30(21(3)4)38(22(5)41)17-24(40)15-34(33)26-11-7-9-13-28(26)36-31(34)39/h6-13,20-21,23-24,29-32,35-37H,14-19H2,1-5H3/p+1/t23?,24-,29+,30+,31+,32+,33?,34?/m0/s1
InChIKeyNJNCAOZBUVHJMN-LQLHSHTNSA-O
ChEBI Ontology
Outgoing Relation(s)
campesine E(1+) (CHEBI:232515) is a piperazines (CHEBI:26144)
campesine E(1+) (CHEBI:232515) is a secondary ammonium ion (CHEBI:137419)
UniProt Name  Source
campesine EUniProt
Citations