CHEBI:171629 - PE-NMe(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name PE-NMe(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:171629
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H78NO8P
Net Charge 0
Average Mass 780.081
Monoisotopic Mass 779.54651
InChI InChI=1S/C44H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45-3)40-50-43(46)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h12,14-15,17-18,20,23,25,29,31,42,45H,4-11,13,16,19,21-22,24,26-28,30,32-41H2,1-3H3,(H,48,49)/b14-12-,17-15-,20-18-,25-23-,31-29-
InChIKey URLXOFHGOWAGCK-BQDGIKJISA-N
SMILES P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/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 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-NMe(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:171629) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
74849998 ChemSpider
HMDB0113125 HMDB
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