CHEBI:171642 - PE-NMe(16:0/18:3(6Z,9Z,12Z))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PE-NMe(16:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:171642
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H74NO8P
Net Charge 0
Average Mass 728.005
Monoisotopic Mass 727.51521
InChI InChI=1S/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,23,25,38,41H,4-11,13,15-17,20-22,24,26-37H2,1-3H3,(H,44,45)/b14-12-,19-18-,25-23-
InChIKey MXMBARRXLFUROE-NZTWUGNDSA-N
SMILES P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(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 Hepa-RG cell (BTO:0005736). 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 HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe(16:0/18:3(6Z,9Z,12Z)) (CHEBI:171642) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
74849916 ChemSpider
HMDB0113043 HMDB
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