EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28374 - solanidine

ChEBI IDCHEBI:28374
ChEBI Namesolanidine
Stars
Secondary ChEBI IDsCHEBI:9187, CHEBI:26720
Last Modified30 November 2021
DownloadsMolfile
FormulaC27H43NO
Net Charge0
Average Mass397.647
Monoisotopic Mass397.33446
SMILES[H][C@@]12CC=C3C[C@@H](O)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/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKeyJVKYZPBMZPJNAJ-OQFNDJACSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (6686191)
Solanum tuberosum (ncbitaxon:4113) - PubMed (32587595) Identified in the root exudate.
Solanum viarum (ncbitaxon:215581) - PubMed (31814043)
Roles Classification
Biological Roles:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
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.
ChEBI Ontology
Outgoing Relation(s)
solanidine (CHEBI:28374) has role plant metabolite (CHEBI:76924)
solanidine (CHEBI:28374) has role toxin (CHEBI:27026)
solanidine (CHEBI:28374) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
solanidine (CHEBI:28374) is a solanid-5-en-3-ol (CHEBI:180936)
solanidine (CHEBI:28374) is a steroid alkaloid fundamental parent (CHEBI:38516)
solanidine (CHEBI:28374) is conjugate base of solanidine(1+) (CHEBI:166996)
Incoming Relation(s)
solanine (CHEBI:9188) has functional parent solanidine (CHEBI:28374)
γ-chaconine(1+) (CHEBI:166997) has functional parent solanidine (CHEBI:28374)
solanidine(1+) (CHEBI:166996) is conjugate acid of solanidine (CHEBI:28374)
IUPAC Name 
solanid-5-en-3β-ol
Synonyms  Source
solanidineKEGG COMPOUND
(3β)-solanid-5-en-3-olChemIDplus
(3β)-solanid-5-en-3-olNIST Chemistry WebBook
3-beta-solanid-5-en-3-olHMDB
(2S,4aR,4bS,6aS,6bR,7S,7aR,10S,12aS,13aS,13bS)-4a,6a,7,10-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-olChEBI
(22R,25S)-solanidanineChemIDplus
Manual XrefsDatabases
C06543KEGG COMPOUND
LMST01150007LIPID MAPS
SolanidineWikipedia
HMDB0003236HMDB
C00002261KNApSAcK
FDB012098FooDB
59150ChemSpider
Registry NumbersSources
Reaxys:45370Reaxys
CAS:80-78-4KEGG COMPOUND
CAS:80-78-4NIST Chemistry WebBook
CAS:80-78-4ChemIDplus
Citations