CHEBI:6346 - Labriformin

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ChEBI Name Labriformin
ChEBI ID CHEBI:6346
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H39NO10S
Net Charge 0
Average Mass 617.709
Monoisotopic Mass 617.22947
InChI InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29?,30+,31-/m1/s1
InChIKey BGKAKFOJZRBENJ-YWBLJHEQSA-N
SMILES C[C@@H]1CC2(SCC=N2)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](C[C@@H]5O[C@]55[C@@H]4[C@H](O)C(=O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1
Roles Classification
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
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ChEBI Ontology
Outgoing Labriformin (CHEBI:6346) is a cardenolide glycoside (CHEBI:38092)
Synonym Source
Labriformin KEGG COMPOUND
Manual Xrefs Databases
C00003627 KNApSAcK
C08871 KEGG COMPOUND
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Registry Number Type Source
66419-07-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014