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CHEBI:180810 - Capsoside A
| Formula | C33H58O15 |
| Net Charge | 0 |
| Average Mass | 694.812 |
| Monoisotopic Mass | 694.37757 |
| SMILES | CC/C=C\CC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[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 |
| WURCS | WURCS=2.0/2,2,1/[a2112h-1b_1-5_1*OCC^SOCCC=^ZCCC/6=O/4COCCCCCCCCCCCC/15=O][a2112h-1a_1-5]/1-2/a6-b1 |
| InChI | InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6-/t21-,22-,23-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | WMXPZMBCAXYUAO-OVAVGRNBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS2150) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Capsoside A (CHEBI:180810) is a galactosylglycerol (CHEBI:24168) |
| IUPAC Name |
|---|
| [(2S)-2-[(Z)-hex-3-enoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] dodecanoate |
| Manual Xrefs | Databases |
|---|---|
| 8684272 | ChemSpider |