EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:5846 - IACI

ChEBI IDCHEBI:5846
ChEBI NameIACI
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H27N6O3
Net Charge0
Average Mass596.446
Monoisotopic Mass596.11909
SMILES[H][C@@]1([C@H](O)c2ccnc3c(NC(=O)c4cc([125I])c(N=[N+]=[N-])cc4O)cccc23)CC2CCN1C[C@@H]2CC
InChIInChI=1S/C26H27IN6O3/c1-2-14-13-33-9-7-15(14)10-22(33)25(35)17-6-8-29-24-16(17)4-3-5-20(24)30-26(36)18-11-19(27)21(31-32-28)12-23(18)34/h3-6,8,11-12,14-15,22,25,34-35H,2,7,9-10,13H2,1H3,(H,30,36)/t14-,15?,22-,25+/m0/s1/i27-2
InChIKeyVWFWJPJMAFRNET-MQWMPURMSA-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)
IACI (CHEBI:5846) is a cinchona alkaloid (CHEBI:51323)
Synonyms  Source
IACIKEGG COMPOUND
N-(Hydrocinchonidin-8'-yl)-4-azido-2-hydroxybenzamideKEGG COMPOUND
Manual XrefsDatabases
C11600KEGG COMPOUND