CHEBI:5238 - Gabunamine

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ChEBI Name Gabunamine
ChEBI ID CHEBI:5238
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H50N4O5
Net Charge 0
Average Mass 690.872
Monoisotopic Mass 690.37812
InChI InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1
InChIKey PIUQMWWFBLVDEE-QMSPWGGVSA-N
SMILES CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(OC)c(cc45)[C@H]4C[C@@H]5C([C@@H](Cc6c4[nH]c4ccccc64)NC\C5=C\C)C(=O)OC)[C@](C2)([C@H]13)C(=O)OC
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 Gabunamine (CHEBI:5238) is a alkaloid (CHEBI:22315)
Synonym Source
Gabunamine KEGG COMPOUND
Manual Xrefs Databases
C00001729 KNApSAcK
C09193 KEGG COMPOUND
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Registry Number Type Source
66086-99-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014