CHEBI:36185 - ergotaman

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ChEBI Name ergotaman
ChEBI ID CHEBI:36185
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H33N5O
Net Charge 0
Average Mass 419.56262
Monoisotopic Mass 419.26851
InChI InChI=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
InChIKey UDPQLCFGLBGHDF-IZKMSSHQSA-N
SMILES [H][C@@]1(CN2CCN3CCC[C@@]3([H])[C@]2([H])O1)NC[C@H]1CN(C)[C@]2([H])Cc3c[nH]c4cccc(C2=C1)c34
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ergotaman (CHEBI:36185) is a indole alkaloid (CHEBI:38958)
ergotaman (CHEBI:36185) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming α-ergocryptine (CHEBI:10276) has parent hydride ergotaman (CHEBI:36185)
β-ergocryptine (CHEBI:59921) has parent hydride ergotaman (CHEBI:36185)
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)
IUPAC Name
ergotaman
Last Modified
02 August 2010