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CHEBI:3149 - Bonafousine

ChEBI IDCHEBI:3149
ChEBI NameBonafousine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H40N4O3
Net Charge0
Average Mass564.730
Monoisotopic Mass564.31004
SMILES[H][C@@]12CC[C@]([H])(c3c(O)ccc4c5c(nc34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@]3([H])[N@@](CC5)C4)n3c1c(c1ccccc13)CCN2
InChIInChI=1S/C35H40N4O3/c1-3-20-16-19-17-35(34(41)42-2)32-24(13-15-38(18-19)33(20)35)22-8-11-28(40)29(30(22)37-32)27-10-9-25-31-23(12-14-36-25)21-6-4-5-7-26(21)39(27)31/h4-8,11,19-20,25,27,33,36-37,40H,3,9-10,12-18H2,1-2H3/t19-,20-,25+,27+,33-,35+/m0/s1
InChIKeyHLAQOSKRDJCTPZ-BCVSJKHFSA-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)
Bonafousine (CHEBI:3149) is a alkaloid (CHEBI:22315)
Synonym  Source
BonafousineKEGG COMPOUND
Manual XrefsDatabases
C00025777KNApSAcK
C09050KEGG COMPOUND
Registry NumbersSources
CAS:60820-65-7KEGG COMPOUND