CHEBI:36327 - tubocuraran

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ChEBI Name tubocuraran
ChEBI ID CHEBI:36327
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H30N2O2
Net Charge 0
Average Mass 474.59280
Monoisotopic Mass 474.23073
InChI InChI=1S/C32H30N2O2/c1-3-22-17-26(5-1)35-27-12-9-23-13-15-33-29(28(23)20-27)18-21-7-10-25(11-8-21)36-31-6-2-4-24-14-16-34-30(19-22)32(24)31/h1-12,17,20,29-30,33-34H,13-16,18-19H2/t29-,30+/m0/s1
InChIKey JYUGMJOCKSHVAU-XZWHSSHBSA-N
SMILES [H][C@@]12Cc3ccc(Oc4cccc5CCN[C@]([H])(Cc6cccc(Oc7ccc(CCN1)c2c7)c6)c45)cc3
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 )
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ChEBI Ontology
Outgoing tubocuraran (CHEBI:36327) is a benzylisoquinoline alkaloid (CHEBI:22750)
tubocuraran (CHEBI:36327) is a benzyltetrahydroisoquinoline (CHEBI:26901)
tubocuraran (CHEBI:36327) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
Incoming tubocurarine (CHEBI:9774) has parent hydride tubocuraran (CHEBI:36327)
IUPAC Name
tubocuraran
Last Modified
04 January 2010