CHEBI:171345 - PE-NMe2(18:1(9Z)/18:2(9Z,12Z))

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ChEBI Name PE-NMe2(18:1(9Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:171345
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H80NO8P
Net Charge 0
Average Mass 770.086
Monoisotopic Mass 769.56216
InChI InChI=1S/C43H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h14,16,19-22,41H,5-13,15,17-18,23-40H2,1-4H3,(H,47,48)/b16-14-,21-19-,22-20-
InChIKey XNCALILGAVSVAG-ZFUXOTDWSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 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-NMe2(18:1(9Z)/18:2(9Z,12Z)) (CHEBI:171345) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
74850832 ChemSpider
HMDB0114044 HMDB
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