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CHEBI:232043 - mogroside IIA1

ChEBI IDCHEBI:232043
ChEBI Namemogroside IIA1
Stars
ASCII Namemogroside IIA1
DefinitionA mogroside that is mogrol in which the hydroxyl hydrogen at position 24 has been replaced by a 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl group.
Secondary ChEBI IDCHEBI:145197
Last Modified3 October 2024
SubmitterAnne Morgat, mwilliams
DownloadsMolfile
FormulaC42H72O14
Net Charge0
Average Mass801.024
Monoisotopic Mass800.49221
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)[C@H](O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O
InChIInChI=1S/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
InChIKeyNWPTUAQJIALPLJ-NCHDIWMLSA-N
Species of MetaboliteComponentSourceComments
Momordica charantia (ncbitaxon:3673) seed (BTO:0001226) MetaboLights (MTBLS701)
Siraitia grosvenorii (ncbitaxon:190515) fruit (BTO:0000486) PubMed (17477572)
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.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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)
mogroside IIA1 (CHEBI:232043) has functional parent mogrol (CHEBI:138974)
mogroside IIA1 (CHEBI:232043) has functional parent β-D-Glcp-(1→6)-β-D-Glcp (CHEBI:71422)
mogroside IIA1 (CHEBI:232043) has role bacterial xenobiotic metabolite (CHEBI:76976)
mogroside IIA1 (CHEBI:232043) has role plant metabolite (CHEBI:76924)
mogroside IIA1 (CHEBI:232043) is a disaccharide derivative (CHEBI:63353)
mogroside IIA1 (CHEBI:232043) is a mogroside (CHEBI:139477)
mogroside IIA1 (CHEBI:232043) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(1S,4R,24R)-1,11α,25-trihydroxy-9α,10,14-trimethyl-8β-4,9-cyclo-9,10-secocholest-5-en-24-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms  Source
M2-A1SUBMITTER
mogroside II A1ChEBI
mogroside II-A1ChEBI
UniProt Name  Source
mogroside II-A1UniProt
Registry NumbersSources
CAS:88901-44-4ChEBI
Citations