CHEBI:9548 - Thiobinupharidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thiobinupharidine
ChEBI ID CHEBI:9548
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H42N2O2S
Net Charge 0
Average Mass 494.734
Monoisotopic Mass 494.29670
InChI InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
InChIKey WBMOHCBEBDKSBI-JYZUVFRYSA-N
SMILES C[C@@H]1CC[C@H](N2C[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@H](N3C4)c3ccoc3)CC[C@@H]12)c1ccoc1
ChEBI Ontology
Outgoing Thiobinupharidine (CHEBI:9548) is a quinolizines (CHEBI:38063)
Synonym Source
Thiobinupharidine KEGG COMPOUND
Manual Xrefs Databases
C00001985 KNApSAcK
C09990 KEGG COMPOUND
View more database links
Registry Number Type Source
30343-72-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014