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CHEBI:231587 - cephaeline(2+)

ChEBI IDCHEBI:231587
ChEBI Namecephaeline(2+)
Stars
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H40N2O4
Net Charge+2
Average Mass468.638
Monoisotopic Mass468.29771
SMILES[H][C@]1(C[C@@]2([H])[NH2+]CCc3cc(O)c(OC)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CC[NH+]2C[C@@H]1CC
InChIInChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/p+2/t17-,20-,23+,24-/m0/s1
InChIKeyDTGZHCFJNDAHEN-OZEXIGSWSA-P
ChEBI Ontology
Outgoing Relation(s)
cephaeline(2+) (CHEBI:231587) is a ammonium ion derivative (CHEBI:35274)
cephaeline(2+) (CHEBI:231587) is conjugate acid of cephaeline (CHEBI:3533)
Incoming Relation(s)
cephaeline (CHEBI:3533) is conjugate base of cephaeline(2+) (CHEBI:231587)
UniProt Name  Source
cephaelineUniProt
Manual XrefsDatabases
CPD-14816MetaCyc