CHEBI:138975 - mogroside IE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mogroside IE
ChEBI ID CHEBI:138975
Definition A mogroside that is mogrol in which the hydroxyl hydrogen at position 3 has been replaced by a β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C36H62O9
Net Charge 0
Average Mass 638.873
Monoisotopic Mass 638.43938
InChI InChI=1S/C36H62O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-31,37-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25-,26-,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1
InChIKey LLZGAVAIPZROOJ-FDWAMWGASA-N
SMILES [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])([C@@H](C[C@]2(C)[C@](CC1)([C@@H](CC[C@H](C(C)(C)O)O)C)[H])O)C)[H]
Metabolite of Species Details
Siraitia grosvenorii (NCBI:txid190515) See: PubMed
Roles Classification
Biological Role(s): 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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mogroside IE (CHEBI:138975) has functional parent mogrol (CHEBI:138974)
mogroside IE (CHEBI:138975) has role plant metabolite (CHEBI:76924)
mogroside IE (CHEBI:138975) is a β-D-glucoside (CHEBI:22798)
mogroside IE (CHEBI:138975) is a mogroside (CHEBI:139477)
mogroside IE (CHEBI:138975) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(1S,4R,9β,11α,24R)-11,24,25-trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-glucopyranoside
Synonyms Sources
(24R)-cucurbit-5-ene-3β,11α,24,25-tetrol 3-β-D-glucoside ChEBI
3-O-β-D-glucosylmogrol ChEBI
mogrol 3-O-β-D-glucoside ChEBI
mogroside IE UniProt
Manual Xref Database
CPD-20464 MetaCyc
View more database links
Registry Number Type Source
9464392 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25759326 PubMed citation SUBMITTER
27583359 PubMed citation SUBMITTER
Last Modified
17 January 2018