EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C45H76NO7P |
| Net Charge | 0 |
| Average Mass | 774.077 |
| Monoisotopic Mass | 773.53594 |
| SMILES | [H][C@@](COC(=O)CCCCCCCC1CCC2C(C1)C1C3CCC3C21)(COP(=O)(O)OCCN)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
| InChI | InChI=1S/C45H76NO7P/c46-23-25-52-54(48,49)53-29-32(50-24-11-7-2-1-4-8-12-30-15-17-37-39(26-30)44-35-21-19-33(35)42(37)44)28-51-41(47)14-10-6-3-5-9-13-31-16-18-38-40(27-31)45-36-22-20-34(36)43(38)45/h30-40,42-45H,1-29,46H2,(H,48,49)/t30?,31?,32-,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?/m1/s1 |
| InChIKey | KXCAVCBNVMAURC-XLXOSIANSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine (CHEBI:137792) is a 1-acyl-2-alkyl-sn-glycero-3-phosphoethanolamine (CHEBI:65231) |
| Manual Xrefs | Databases |
|---|---|
| LMGP02080003 | LIPID MAPS |