CHEBI:171104 - PE-NMe2(22:1(13Z)/14:1(9Z))

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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-NMe2(22:1(13Z)/14:1(9Z))
ChEBI ID CHEBI:171104
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/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-25-16-14-12-10-8-6-2/h12,14,18-19,41H,5-11,13,15-17,20-40H2,1-4H3,(H,47,48)/b14-12-,19-18-
InChIKey AKYDNAVOQYLPSB-DUZKARGPSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(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 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
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe2(22:1(13Z)/14:1(9Z)) (CHEBI:171104) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
74851225 ChemSpider
HMDB0114438 HMDB
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