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CHEBI:136795 - 1,2-di-(α-linolenoyl)-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol
| Formula | C51H84O15 |
| Net Charge | 0 |
| Average Mass | 937.218 |
| Monoisotopic Mass | 936.58102 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1 |
| InChIKey | KDYAPQVYJXUQNY-OPHDRXFHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Brassica napus (ncbitaxon:3708) | |||
| - | PubMed (27500669) | ||
| - | MetaboLights (MTBLS312) |
| Roles Classification |
|---|
| Biological Roles: | Brassica napus metabolite Any plant metabolite that is produced by rapeseed (Brassica napus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,2-di-(α-linolenoyl)-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136795) has functional parent α-linolenic acid (CHEBI:27432) |
| 1,2-di-(α-linolenoyl)-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136795) has role Brassica napus metabolite (CHEBI:140165) |
| 1,2-di-(α-linolenoyl)-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136795) is a 3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-1,2-diacyl-sn-glycerol (CHEBI:28396) |
| IUPAC Name |
|---|
| (2S)-3-[(6-O-α-D-galactopyranosyl-β-D-galactopyranosyl)oxy]propane-1,2-diyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)di-octadeca-9,12,15-trienoate |
| Synonyms | Source |
|---|---|
| 18:3-18:3-DGDG | MetaCyc |
| 1-18:3-2-18:3-digalactosyldiacylglycerol | MetaCyc |
| 1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol | ChEBI |
| digalactosyldiacylglycerol 18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z) | ChEBI |
| DGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-8081 | MetaCyc |
| HMDB0011127 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4901058 | Reaxys |