CHEBI:171119 - PE-NMe2(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-NMe2(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:171119
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H78NO8P
Net Charge 0
Average Mass 792.092
Monoisotopic Mass 791.54651
InChI InChI=1S/C45H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2/h13,15-16,18-20,22-23,26,28,32,34,43H,5-12,14,17,21,24-25,27,29-31,33,35-42H2,1-4H3,(H,49,50)/b15-13-,18-16-,20-19-,23-22-,28-26-,34-32-
InChIKey IPXAUNQMMBEVCC-JTJQIXGFSA-N
SMILES P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(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 Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe2(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:171119) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual Xrefs Databases
74850768 ChemSpider
HMDB0113980 HMDB
View more database links