EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:5238 - Gabunamine

ChEBI IDCHEBI:5238
ChEBI NameGabunamine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H50N4O5
Net Charge0
Average Mass690.885
Monoisotopic Mass690.37812
SMILES[H][C@]1(c2cc3c4c(nc3cc2OC)[C@]2(C(=O)OC)C[C@@H]3C[C@H](CC)[C@]2([H])[N@@](CC4)C3)C[C@H]2/C(=C\C)CN[C@H](Cc3c1nc1ccccc31)C2C(=O)OC
InChIInChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1
InChIKeyPIUQMWWFBLVDEE-QMSPWGGVSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Gabunamine (CHEBI:5238) is a alkaloid (CHEBI:22315)
Synonym  Source
GabunamineKEGG COMPOUND
Manual XrefsDatabases
C00001729KNApSAcK
C09193KEGG COMPOUND
Registry NumbersSources
CAS:66086-99-5KEGG COMPOUND