CHEBI:171235 - PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)

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ChEBI Name PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
ChEBI ID CHEBI:171235
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H80NO8P
Net Charge 0
Average Mass 794.108
Monoisotopic Mass 793.56216
InChI InChI=1S/C45H80NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3)4)54-45(48)38-36-34-32-30-28-25-18-16-14-12-10-8-6-2/h13,15,19-20,22-23,26-27,31,33,43H,5-12,14,16-18,21,24-25,28-30,32,34-42H2,1-4H3,(H,49,50)/b15-13-,20-19-,23-22-,27-26-,33-31-
InChIKey DFBRQLXILBEJKW-WVQYADEDSA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) (CHEBI:171235) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual Xrefs Databases
74851472 ChemSpider
HMDB0116717 HMDB
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