EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H72NO8P |
| Net Charge | 0 |
| Average Mass | 725.989 |
| Monoisotopic Mass | 725.49955 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,38H,3-10,12,14-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-,26-24-/t38-/m1/s1 |
| InChIKey | ZCLVHBFNNXEQCL-UAAZYTQRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | Serum (BTO:0000133) | MetaboLights (MTBLS4478) | |
| Canis lupus (ncbitaxon:9612) | liver (BTO:0000759) | MetaboLights (MTBLS4015) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(20:4(5Z,8Z,11Z,14Z)/15:0) (CHEBI:190162) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009384 | HMDB |
| LMGP02010937 | LIPID MAPS |
| 24768835 | ChemSpider |