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CHEBI:9188 - solanine

ChEBI IDCHEBI:9188
ChEBI Namesolanine
Stars
DefinitionA glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22β)-solanid-5-en-3β-ol].
Last Modified12 May 2023
DownloadsMolfile
FormulaC45H73NO15
Net Charge0
Average Mass868.071
Monoisotopic Mass867.49802
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[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])N3C[C@@H](C)CC[C@]3([H])[C@@H](C)[C@]12[H]
InChIInChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,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
InChIKeyZGVSETXHNHBTRK-UDJLNJFBSA-N
Wikipedia
Roles Classification
Biological Roles:
phytotoxin  Any toxin produced by a plant.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
solanine (CHEBI:9188) has functional parent solanidine (CHEBI:28374)
solanine (CHEBI:9188) has role antineoplastic agent (CHEBI:35610)
solanine (CHEBI:9188) has role apoptosis inducer (CHEBI:68495)
solanine (CHEBI:9188) has role phytotoxin (CHEBI:38231)
solanine (CHEBI:9188) has role plant metabolite (CHEBI:76924)
solanine (CHEBI:9188) is a glycoalkaloid (CHEBI:195215)
solanine (CHEBI:9188) is a organic heterohexacyclic compound (CHEBI:51914)
solanine (CHEBI:9188) is a steroid saponin (CHEBI:61655)
solanine (CHEBI:9188) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
solanid-5-en-3β-yl 6-deoxy-α-L-mannopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside
Synonyms  Source
SolanineKEGG COMPOUND
alpha-SolaninChemIDplus
α-solanineChEBI
Manual XrefsDatabases
C10820KEGG COMPOUND
HMDB0034202HMDB
CPD-9211MetaCyc
SolanineWikipedia
C00002262KNApSAcK
LSM-3583LINCS
Registry NumbersSources
Reaxys:77607Reaxys
CAS:20562-02-1KEGG COMPOUND
CAS:20562-02-1ChemIDplus
Citations