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CHEBI:185971 - PI(22:4(7Z,10Z,13Z,16Z)/22:0)
| Formula | C53H95O13P |
| Net Charge | 0 |
| Average Mass | 971.304 |
| Monoisotopic Mass | 970.65103 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C53H95O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)63-43-45(44-64-67(61,62)66-53-51(59)49(57)48(56)50(58)52(53)60)65-47(55)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,45,48-53,56-60H,3-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3,(H,61,62)/b13-11-,19-17-,25-23-,31-29-/t45-,48?,49-,50?,51?,52?,53?/m1/s1 |
| InChIKey | UHOFOYDZSIBJRT-OTUDMGOCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PI(22:4(7Z,10Z,13Z,16Z)/22:0) (CHEBI:185971) is a phosphatidylinositol (CHEBI:28874) |
| IUPAC Name |
|---|
| [(2R)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] docosanoate |
| Manual Xrefs | Databases |
|---|---|
| LMGP06010782 | LIPID MAPS |