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CHEBI:36379 - tubulosan

ChEBI IDCHEBI:36379
ChEBI Nametubulosan
Stars
Last Modified2 February 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H33N3
Net Charge0
Average Mass399.582
Monoisotopic Mass399.26745
SMILES[H][C@]1(C[C@@]2([H])NCCc3c2nc2ccccc32)C[C@@]2([H])c3ccccc3CCN2C[C@@H]1CC
InChIInChI=1S/C27H33N3/c1-2-18-17-30-14-12-19-7-3-4-8-21(19)26(30)16-20(18)15-25-27-23(11-13-28-25)22-9-5-6-10-24(22)29-27/h3-10,18,20,25-26,28-29H,2,11-17H2,1H3/t18-,20-,25+,26-/m0/s1
InChIKeyAIZBUQBFRLEIBW-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)
tubulosan (CHEBI:36379) is a indole alkaloid (CHEBI:38958)
tubulosan (CHEBI:36379) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming Relation(s)
alangimarckine (CHEBI:2536) has functional parent tubulosan (CHEBI:36379)
tubulosine (CHEBI:9775) has parent hydride tubulosan (CHEBI:36379)
IUPAC Name 
tubulosan