EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C51H88NO12P |
| Net Charge | 0 |
| Average Mass | 938.234 |
| Monoisotopic Mass | 937.60441 |
| SMILES | CCCCCc1cc(C)c(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCC(N)C(=O)O)o1 |
| InChI | InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-14-15-19-23-29-35-50(54)63-44(38-60-65(57,58)61-39-45(52)51(55)56)37-59-49(53)34-28-22-18-13-11-10-12-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58) |
| InChIKey | IDEWJTNRENLEEN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(DIME(13,5)/MONOME(11,5)) (CHEBI:185296) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| 2-amino-3-[[3-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]-2-[11-(3-methyl-5-pentyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74849548 | ChemSpider |
| HMDB0061576 | HMDB |