EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195632 - PE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z))

ChEBI IDCHEBI:195632
ChEBI NamePE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z))
Stars
Submittermwilliams
DownloadsMolfile
FormulaC45H78NO7P
Net Charge0
Average Mass776.093
Monoisotopic Mass775.55159
SMILES[H]/C(CC)=C(/[H])C/C([H])=C(\[H])C/C([H])=C(\[H])C/C([H])=C(\[H])C/C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(=O)(O)OCCN)O/C([H])=C(\[H])CCCCCC/C([H])=C(\[H])CCCCCCCC
InChIInChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5+,13-11+,19-17+,20-18+,23-22+,28-26+,40-37+/t44-/m1/s1
InChIKeyMKBJNHCATMRUSP-XVBLJTJYSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z)) (CHEBI:195632) is a glycerophosphoethanolamine (CHEBI:36314)