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CHEBI:230436 - PS(16:1(9Z)/TXB2)
| Formula | C42H74NO14P |
| Net Charge | 0 |
| Average Mass | 848.021 |
| Monoisotopic Mass | 847.48469 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC |
| InChI | InChI=1S/C42H74NO14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-25-39(46)53-30-34(31-54-58(51,52)55-32-36(43)42(49)50)56-40(47)26-22-18-17-20-24-35-37(45)29-41(48)57-38(35)28-27-33(44)23-19-6-4-2/h10-11,17,20,27-28,33-38,41,44-45,48H,3-9,12-16,18-19,21-26,29-32,43H2,1-2H3,(H,49,50)(H,51,52)/b11-10-,20-17-,28-27+/t33-,34+,35-,36-,37-,38+,41?/m0/s1 |
| InChIKey | IGWDJJCIWHJUJS-IXWLOVPUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(16:1(9Z)/TXB2) (CHEBI:230436) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-2-[(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0281252 | HMDB |