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CHEBI:4433 - Deoxytubulosine

ChEBI IDCHEBI:4433
ChEBI NameDeoxytubulosine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H37N3O2
Net Charge0
Average Mass459.634
Monoisotopic Mass459.28858
SMILES[H][C@]1(C[C@@]2([H])NCCc3c2nc2ccccc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC
InChIInChI=1S/C29H37N3O2/c1-4-18-17-32-12-10-19-15-27(33-2)28(34-3)16-23(19)26(32)14-20(18)13-25-29-22(9-11-30-25)21-7-5-6-8-24(21)31-29/h5-8,15-16,18,20,25-26,30-31H,4,9-14,17H2,1-3H3/t18-,20-,25+,26-/m0/s1
InChIKeyAVJZNOIWPGXYKM-LXFCCGDJSA-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)
Deoxytubulosine (CHEBI:4433) is a harmala alkaloid (CHEBI:61379)
Synonym  Source
DeoxytubulosineKEGG COMPOUND
Manual XrefsDatabases
C11817KEGG COMPOUND