CHEBI:171278 - PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z))

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ChEBI Name PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z))
ChEBI ID CHEBI:171278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H82NO8P
Net Charge 0
Average Mass 796.124
Monoisotopic Mass 795.57781
InChI InChI=1S/C45H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3)4)54-45(48)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2/h13,15,19-21,23-25,43H,5-12,14,16-18,22,26-42H2,1-4H3,(H,49,50)/b15-13-,21-19-,23-20-,25-24-
InChIKey FHUABVPUASMCTD-QEFLASEGSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Metabolite of Species Details
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;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z)) (CHEBI:171278) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
74851090 ChemSpider
HMDB0114303 HMDB
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