EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C38H74O9 |
| Net Charge | 0 |
| Average Mass | 675.001 |
| Monoisotopic Mass | 674.53328 |
| SMILES | C[C@@H](O)CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C38H74O9/c1-31(40)29-33(42)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(41)27-28-46-38-37(45)36(44)35(43)34(30-39)47-38/h31-32,34-41,43-45H,2-30H2,1H3/t31-,32-,34-,35-,36+,37-,38+/m1/s1 |
| InChIKey | JDZCCUPQBXSRFJ-ROGCSJSBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS334) |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-O-(α-D-glucosyl)-29-keto-(3R,31R)-dotriacontanetriol (CHEBI:131694) has role mouse metabolite (CHEBI:75771) |
| 1-O-(α-D-glucosyl)-29-keto-(3R,31R)-dotriacontanetriol (CHEBI:131694) is a ketone (CHEBI:17087) |
| 1-O-(α-D-glucosyl)-29-keto-(3R,31R)-dotriacontanetriol (CHEBI:131694) is a monosaccharide derivative (CHEBI:63367) |
| 1-O-(α-D-glucosyl)-29-keto-(3R,31R)-dotriacontanetriol (CHEBI:131694) is a α-D-glucoside (CHEBI:22390) |
| IUPAC Name |
|---|
| (3R,31R)-3,31-dihydroxy-29-oxodotriacontyl α-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| 1-O-(α-D-glucosyl)-29-oxo-(3R,31R)-dotriacontanetriol | ChEBI |
| 1-O-(α-D-glucopyranosyl)-29-keto-(3R,31R)-dotriacontanetriol | ChEBI |
| (3R,31R)-3,31-dihydroxy-29-oxodotriacontyl α-D-glucoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA13010030 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8182525 | Reaxys |