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CHEBI:185539 - [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphinic acid
| Formula | C43H85O10P |
| Net Charge | 0 |
| Average Mass | 793.117 |
| Monoisotopic Mass | 792.58804 |
| SMILES | CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO |
| InChI | InChI=1S/C43H85O10P/c1-5-39(4)31-27-23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-25-29-33-43(47)53-41(37-52-54(48,49)51-35-40(45)34-44)36-50-42(46)32-28-24-21-20-22-26-30-38(2)3/h38-41,44-45H,5-37H2,1-4H3,(H,48,49)/t39?,40-,41+/m0/s1 |
| InChIKey | DXADXZYAXUCWRB-XRCKYFATSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphinic acid (CHEBI:185539) is a phosphatidylglycerol (CHEBI:17517) |
| IUPAC Name |
|---|
| [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] 22-methyltetracosanoate |
| Manual Xrefs | Databases |
|---|---|
| 74878371 | ChemSpider |
| HMDB0116659 | HMDB |