EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C36H64O18 |
| Net Charge | 0 |
| Average Mass | 784.890 |
| Monoisotopic Mass | 784.40927 |
| SMILES | CC(CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C36H64O18/c1-20(49-36-33(30(46)27(43)23(19-39)52-36)54-35-32(48)29(45)26(42)22(18-38)51-35)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24(40)53-34-31(47)28(44)25(41)21(17-37)50-34/h2-3,20-23,25-39,41-48H,4-19H2,1H3/b3-2-/t20?,21-,22-,23-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-/m1/s1 |
| InChIKey | ICETUHNQTHLGGB-QFWKKHOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17-[(O-beta-D-glucosyl-(1->2)-beta-D-glucosyl)oxy]-oleate-beta-D-glucoside (CHEBI:747007) has functional parent (9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside (CHEBI:144058) |
| 17-[(O-beta-D-glucosyl-(1->2)-beta-D-glucosyl)oxy]-oleate-beta-D-glucoside (CHEBI:747007) is a sophorolipid (CHEBI:51075) |
| Incoming Relation(s) |
| 17-[(O-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-oleate-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:235371) has functional parent 17-[(O-beta-D-glucosyl-(1->2)-beta-D-glucosyl)oxy]-oleate-beta-D-glucoside (CHEBI:747007) |
| UniProt Name | Source |
|---|---|
| (9Z)-17-[(O-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-octadecenoate-β-D-glucoside | UniProt |
| Citations |
|---|