CHEBI:171018 - PE-NMe(16:1(9Z)/20:2(11Z,14Z))

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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-NMe(16:1(9Z)/20:2(11Z,14Z))
ChEBI ID CHEBI:171018
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H78NO8P
Net Charge 0
Average Mass 756.059
Monoisotopic Mass 755.54651
InChI InChI=1S/C42H78NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h12,14-15,17-19,40,43H,4-11,13,16,20-39H2,1-3H3,(H,46,47)/b14-12-,17-15-,19-18-
InChIKey YGLKMRMXLASSEB-OBIYJZOGSA-N
SMILES P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(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 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 HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe(16:1(9Z)/20:2(11Z,14Z)) (CHEBI:171018) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
74849942 ChemSpider
HMDB0113069 HMDB
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