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CHEBI:75932 - 26-desglucoavenacoside A

ChEBI IDCHEBI:75932
ChEBI Name26-desglucoavenacoside A
Stars
DefinitionA steroid saponin that is avenacoside A lacking the 26-O-glucosyl residue.
Last Modified18 October 2013
SubmitterKAX
DownloadsMolfile
FormulaC45H72O18
Net Charge0
Average Mass901.053
Monoisotopic Mass900.47187
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@](C)(CO)O3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C45H72O18/c1-19-29-26(62-45(19)13-12-42(3,18-48)63-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)57-41-38(61-39-34(53)32(51)30(49)20(2)56-39)36(55)37(28(17-47)59-41)60-40-35(54)33(52)31(50)27(16-46)58-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44-,45-/m0/s1
InChIKeyYLBOORQIYJNJAH-NHAVPJQQSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
26-desglucoavenacoside A (CHEBI:75932) has functional parent avenacoside A (CHEBI:2937)
26-desglucoavenacoside A (CHEBI:75932) has functional parent nuatigenin (CHEBI:15574)
26-desglucoavenacoside A (CHEBI:75932) has role metabolite (CHEBI:25212)
26-desglucoavenacoside A (CHEBI:75932) is a hexacyclic triterpenoid (CHEBI:70994)
26-desglucoavenacoside A (CHEBI:75932) is a spiroketal (CHEBI:72600)
26-desglucoavenacoside A (CHEBI:75932) is a steroid saponin (CHEBI:61655)
26-desglucoavenacoside A (CHEBI:75932) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
(3β,22S,25S)-26-hydroxy-22,25-epoxyfurost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranoside
UniProt Name  Source
26-desgluco-avenacoside AUniProt
Citations