CHEBI:10016 - vobtusine

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ChEBI Name vobtusine
ChEBI ID CHEBI:10016
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C43H50N4O6
Net Charge 0
Average Mass 718.88046
Monoisotopic Mass 718.37304
InChI InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1
InChIKey IIMPGJMHQMBXKL-OPDPKHDKSA-N
SMILES [H][C@@]12C[C@]3(CN4CC[C@@]56C(Nc7ccccc57)=C(C[C@@]5(CCO[C@@]35[H])[C@]46[H])C(=O)OC)CN3c4c(OC)cccc4[C@@]4(CCN5CC[C@]6([H])OCC[C@]6(C1)[C@@]45[H])[C@]23O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 vobtusine (CHEBI:10016) is a alkaloid ester (CHEBI:38481)
vobtusine (CHEBI:10016) is a hemiaminal (CHEBI:73080)
vobtusine (CHEBI:10016) is a indole alkaloid fundamental parent (CHEBI:38482)
vobtusine (CHEBI:10016) is a methyl ester (CHEBI:25248)
vobtusine (CHEBI:10016) is a spiro compound (CHEBI:33599)
vobtusine (CHEBI:10016) is a vinca alkaloid (CHEBI:27288)
IUPAC Name
vobtusine
Manual Xrefs Databases
C00001787 KNApSAcK
C09254 KEGG COMPOUND
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Registry Numbers Types Sources
19772-79-3 CAS Registry Number ChemIDplus
4641215 Beilstein Registry Number Beilstein
77486 Beilstein Registry Number Beilstein
Last Modified
31 March 2015