CHEBI:70996 - gitaloxin

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ChEBI Name gitaloxin
ChEBI ID CHEBI:70996
Definition A cardenolide glycoside that is gitoxin in which the 16β-hydroxy group has been formylated.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C42H64O15
Net Charge 0
Average Mass 808.94860
Monoisotopic Mass 808.42452
InChI InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31+,33+,34+,35+,36+,37-,38-,39-,40+,41-,42+/m1/s1
InChIKey GZZJHPZDXZCDDA-MBJUQXSJSA-N
SMILES [H]C(=O)O[C@H]1C[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@]1([H])C1=CC(=O)OC1)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
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.
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing gitaloxin (CHEBI:70996) has functional parent gitoxin (CHEBI:28503)
gitaloxin (CHEBI:70996) has role metabolite (CHEBI:25212)
gitaloxin (CHEBI:70996) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name
3β-[2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyloxy]-16β-(formyloxy)-14-hydroxy-5β-card-20(22)-enolide
INNs Sources
gitaloxin ChemIDplus
gitaloxina ChemIDplus
gitaloxine ChemIDplus
gitaloxinum ChemIDplus
Synonyms Sources
16-Formyl-gitoxin ChemIDplus
Gitaloxigenin-tridigitoxosid ChemIDplus
Gitoxin 16-formate ChemIDplus
O1616-formylgitoxin ChEBI
Registry Numbers Types Sources
3261-53-8 CAS Registry Number ChemIDplus
77277 Reaxys Registry Number Reaxys
Citations
Last Modified
17 December 2012