CHEBI:171203 - PE-NMe(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))

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ChEBI Name PE-NMe(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
ChEBI ID CHEBI:171203
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H74NO8P
Net Charge 0
Average Mass 752.027
Monoisotopic Mass 751.51521
InChI InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-22-17-15-13-11-9-7-5-2/h12,14-15,17-19,21,23,26,28,40,43H,4-11,13,16,20,22,24-25,27,29-39H2,1-3H3,(H,46,47)/b14-12-,17-15-,19-18-,23-21-,28-26-
InChIKey PVEZRKFSMNSLDY-IPDIMARHSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(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 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
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) (CHEBI:171203) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
74850297 ChemSpider
HMDB0113426 HMDB
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