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CHEBI:36327 - tubocuraran

ChEBI IDCHEBI:36327
ChEBI Nametubocuraran
Stars
Last Modified4 January 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC32H30N2O2
Net Charge0
Average Mass474.604
Monoisotopic Mass474.23073
SMILES[H][C@@]12Cc3cccc(c3)Oc3ccc4c(c3)[C@]([H])(Cc3ccc(cc3)Oc3cccc(c31)CCN2)NCC4
InChIInChI=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
InChIKeyJYUGMJOCKSHVAU-XZWHSSHBSA-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)
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 Relation(s)
tubocurarine (CHEBI:9774) has parent hydride tubocuraran (CHEBI:36327)
IUPAC Name 
tubocuraran