CHEBI:171277 - PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:0)

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ChEBI Name PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:0)
ChEBI ID CHEBI:171277
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/h13,15,19,21,24-25,29,31,43H,5-12,14,16-18,20,22-23,26-28,30,32-42H2,1-4H3,(H,49,50)/b15-13-,21-19-,25-24-,31-29-
InChIKey GSYSWCQMMRBABD-POCLGASTSA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(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;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
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:0) (CHEBI:171277) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
74851116 ChemSpider
HMDB0114329 HMDB
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