CHEBI:171272 - PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))

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ChEBI Name PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))
ChEBI ID CHEBI:171272
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/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h14,16,19-21,23,27,29,43H,5-13,15,17-18,22,24-26,28,30-42H2,1-4H3,(H,49,50)/b16-14-,21-19-,23-20-,29-27-
InChIKey YVCMAGOVEHZYKQ-CJXSULJVSA-N
SMILES P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/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 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
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z)) (CHEBI:171272) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual Xrefs Databases
74850895 ChemSpider
HMDB0114107 HMDB
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