EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C36H62O9 |
| Net Charge | 0 |
| Average Mass | 638.883 |
| Monoisotopic Mass | 638.43938 |
| SMILES | [H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)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(C)(C)O |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Siraitia grosvenorii (ncbitaxon:190515) | - | PubMed (25759326) |
| 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) |
| 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 mogroside (CHEBI:139477) |
| mogroside IE (CHEBI:138975) is a monosaccharide derivative (CHEBI:63367) |
| mogroside IE (CHEBI:138975) is a β-D-glucoside (CHEBI:22798) |
| Incoming Relation(s) |
| mogroside IIIE (CHEBI:232044) has functional parent mogroside IE (CHEBI:138975) |
| 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 | Source |
|---|---|
| (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 |
| UniProt Name | Source |
|---|---|
| mogroside IE | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-20464 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9464392 | Reaxys |
| Citations |
|---|