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 Types Sources
11005196 PubMed citation Europe PMC
13642737 PubMed citation Europe PMC
13897769 PubMed citation Europe PMC
17396954 PubMed citation Europe PMC
2808604 PubMed citation Europe PMC
2987235 PubMed citation Europe PMC
3009493 PubMed citation Europe PMC
4705798 PubMed citation Europe PMC
4717386 PubMed citation Europe PMC
485714 PubMed citation Europe PMC
6296702 PubMed citation Europe PMC
6541927 PubMed citation Europe PMC
7167866 PubMed citation Europe PMC
7190401 PubMed citation Europe PMC
7739045 PubMed citation Europe PMC
8986501 PubMed citation Europe PMC
Last Modified
17 December 2012