CHEBI:191108 - Pe(18:0/19,20-epdpe)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pe(18:0/19,20-epdpe)
ChEBI ID CHEBI:191108
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H78NO9P
Net Charge 0
Average Mass 808.091
Monoisotopic Mass 807.54142
InChI InChI=1S/C45H78NO9P/c1-3-5-6-7-8-9-10-11-13-17-20-23-26-29-32-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-33-30-27-24-21-18-15-12-14-16-19-22-25-28-31-34-43-42(4-2)55-43/h12,14,18-19,21-22,27-28,30-31,41-43H,3-11,13,15-17,20,23-26,29,32-40,46H2,1-2H3,(H,49,50)/b14-12-,21-18-,22-19-,30-27-,31-28-
InChIKey LGCVHGQURUDXEB-AVEPAOJESA-N
SMILES P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing Pe(18:0/19,20-epdpe) (CHEBI:191108) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoate