CHEBI:171049 - PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:0)

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ChEBI Name PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:0)
ChEBI ID CHEBI:171049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H80NO8P
Net Charge 0
Average Mass 782.097
Monoisotopic Mass 781.56216
InChI InChI=1S/C44H80NO8P/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/h7,9,13,15,19,22,26,28,42,45H,4-6,8,10-12,14,16-18,20-21,23-25,27,29-41H2,1-3H3,(H,48,49)/b9-7-,15-13-,22-19-,28-26-
InChIKey KMBDIZCBVUDMAF-VWGBBBJSSA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(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 HeLa cell;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 NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:0) (CHEBI:171049) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] icosanoate
Manual Xrefs Databases
74850134 ChemSpider
HMDB0113262 HMDB
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