EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77156 - gypenoside LXXV

ChEBI IDCHEBI:77156
ChEBI Namegypenoside LXXV
Stars
DefinitionA ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3β, 12β and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.
Last Modified5 November 2019
SubmitterKAX
DownloadsMolfile
FormulaC42H72O13
Net Charge0
Average Mass785.025
Monoisotopic Mass784.49729
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(54-37)20-52-36-34(50)32(48)30(46)24(19-43)53-36)22-11-16-41(7)29(22)23(44)18-27-39(5)15-13-28(45)38(3,4)26(39)12-17-40(27,41)6/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,39-,40+,41+,42-/m0/s1
InChIKeyYIYRCZFIJNGYOG-QINBLQPGSA-N
Roles Classification
Biological Roles:
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)
gypenoside LXXV (CHEBI:77156) has parent hydride dammarane (CHEBI:36488)
gypenoside LXXV (CHEBI:77156) has role plant metabolite (CHEBI:76924)
gypenoside LXXV (CHEBI:77156) is a 12β-hydroxy steroid (CHEBI:36847)
gypenoside LXXV (CHEBI:77156) is a 3β-hydroxy steroid (CHEBI:36836)
gypenoside LXXV (CHEBI:77156) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
gypenoside LXXV (CHEBI:77156) is a disaccharide derivative (CHEBI:63353)
gypenoside LXXV (CHEBI:77156) is a ginsenoside (CHEBI:74978)
gypenoside LXXV (CHEBI:77156) is a tetracyclic triterpenoid (CHEBI:26893)
gypenoside LXXV (CHEBI:77156) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(β,12β)-3,12-dihydroxydammar-24-en-20-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
UniProt Name  Source
gypenoside LXXVUniProt
Manual XrefsDatabases
CPD-15460MetaCyc
Citations