EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:36185 - ergotaman

ChEBI IDCHEBI:36185
ChEBI Nameergotaman
Stars
Last Modified2 August 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC25H33N5O
Net Charge0
Average Mass419.573
Monoisotopic Mass419.26851
SMILES[H][C@]1(NC[C@@H]2C=C3c4cccc5ncc(c45)C[C@@]3([H])N(C)C2)CN2CCN3CCC[C@@]3([H])[C@]2([H])O1
InChIInChI=1S/C25H33N5O/c1-28-14-16(10-19-18-4-2-5-20-24(18)17(13-26-20)11-22(19)28)12-27-23-15-30-9-8-29-7-3-6-21(29)25(30)31-23/h2,4-5,10,13,16,21-23,25-27H,3,6-9,11-12,14-15H2,1H3/t16-,21-,22+,23+,25-/m0/s1
InChIKeyUDPQLCFGLBGHDF-IZKMSSHQSA-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)
ergotaman (CHEBI:36185) is a indole alkaloid (CHEBI:38958)
ergotaman (CHEBI:36185) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming Relation(s)
bromocriptine (CHEBI:3181) has parent hydride ergotaman (CHEBI:36185)
dihydro-α-ergocryptine (CHEBI:59919) has parent hydride ergotaman (CHEBI:36185)
dihydro-β-ergocryptine (CHEBI:59925) has parent hydride ergotaman (CHEBI:36185)
dihydroergocornine (CHEBI:59909) has parent hydride ergotaman (CHEBI:36185)
dihydroergocristine (CHEBI:59912) has parent hydride ergotaman (CHEBI:36185)
ergocornine (CHEBI:4820) has parent hydride ergotaman (CHEBI:36185)
ergocristine (CHEBI:4821) has parent hydride ergotaman (CHEBI:36185)
ergosine (CHEBI:4823) has parent hydride ergotaman (CHEBI:36185)
α-ergocryptine (CHEBI:10276) has parent hydride ergotaman (CHEBI:36185)
β-ergocryptine (CHEBI:59921) has parent hydride ergotaman (CHEBI:36185)
IUPAC Name 
ergotaman