CHEBI:170190 - PE-NMe(22:1(13Z)/16:1(9Z))

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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(22:1(13Z)/16:1(9Z))
ChEBI ID CHEBI:170190
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H84NO8P
Net Charge 0
Average Mass 786.129
Monoisotopic Mass 785.59346
InChI InChI=1S/C44H84NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45-3)53-44(47)37-35-33-31-29-27-24-17-15-13-11-9-7-5-2/h15,17-19,42,45H,4-14,16,20-41H2,1-3H3,(H,48,49)/b17-15-,19-18-
InChIKey SNFHQDNARKNOPZ-FESQGUELSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(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 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-NMe(22:1(13Z)/16:1(9Z)) (CHEBI:170190) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
74850410 ChemSpider
HMDB0113539 HMDB
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