CHEBI:171109 - PE-NMe(22:2(13Z,16Z)/15:0)

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-NMe(22:2(13Z,16Z)/15:0)
ChEBI ID CHEBI:171109
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H82NO8P
Net Charge 0
Average Mass 772.102
Monoisotopic Mass 771.57781
InChI InChI=1S/C43H82NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44-3)52-43(46)36-34-32-30-28-25-17-15-13-11-9-7-5-2/h12,14,18-19,41,44H,4-11,13,15-17,20-40H2,1-3H3,(H,47,48)/b14-12-,19-18-
InChIKey RFMYLHFMOMXACU-DUZKARGPSA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(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 Hepa-RG cell (BTO:0005736). 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 HeLa cell (BTO:0000567). 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-NMe(22:2(13Z,16Z)/15:0) (CHEBI:171109) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-pentadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
74850436 ChemSpider
HMDB0113565 HMDB
View more database links