CHEBI:170165 - PE-NMe(18:1(9Z)/18:0)

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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(18:1(9Z)/18:0)
ChEBI ID CHEBI:170165
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H82NO8P
Net Charge 0
Average Mass 760.091
Monoisotopic Mass 759.57781
InChI InChI=1S/C42H82NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18,20,40,43H,4-17,19,21-39H2,1-3H3,(H,46,47)/b20-18-
InChIKey FSHORJIJKLTTGL-ZZEZOPTASA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/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 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
ChEBI Ontology
Outgoing PE-NMe(18:1(9Z)/18:0) (CHEBI:170165) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] octadecanoate
Manual Xrefs Databases
74850015 ChemSpider
HMDB0113142 HMDB
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