EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:185098 - [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid
| Formula | C35H69O10P |
| Net Charge | 0 |
| Average Mass | 680.901 |
| Monoisotopic Mass | 680.46284 |
| SMILES | CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO |
| InChI | InChI=1S/C35H69O10P/c1-5-31(4)23-19-15-11-7-9-13-17-21-25-35(39)45-33(29-44-46(40,41)43-27-32(37)26-36)28-42-34(38)24-20-16-12-8-6-10-14-18-22-30(2)3/h30-33,36-37H,5-29H2,1-4H3,(H,40,41)/t31?,32-,33+/m0/s1 |
| InChIKey | MUHFJVIORYXYQE-ADIDXWPESA-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-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid (CHEBI:185098) is a phosphatidylglycerol (CHEBI:17517) |
| IUPAC Name |
|---|
| [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(12-methyltridecanoyloxy)propan-2-yl] 12-methyltetradecanoate |
| Manual Xrefs | Databases |
|---|---|
| 74878403 | ChemSpider |
| HMDB0116691 | HMDB |