EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:190160 - PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
| Formula | C48H82NO8P |
| Net Charge | 0 |
| Average Mass | 832.157 |
| Monoisotopic Mass | 831.57781 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
| InChI | InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26-29,33,35,46H,6-7,9,11-13,15,17-19,24-25,30-32,34,36-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1 |
| InChIKey | UKLQNWOFEZMBHP-KPXKMEBGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | Serum (BTO:0000133) | MetaboLights (MTBLS4478) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) (CHEBI:190160) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| [(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| 24767135 | ChemSpider |
| HMDB0008474 | HMDB |