CHEBI:171030 - PE-NMe(18:1(9Z)/18:2(9Z,12Z))

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ChEBI Name PE-NMe(18:1(9Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:171030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H78NO8P
Net Charge 0
Average Mass 756.059
Monoisotopic Mass 755.54651
InChI InChI=1S/C42H78NO8P/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/h13,15,18-21,40,43H,4-12,14,16-17,22-39H2,1-3H3,(H,46,47)/b15-13-,20-18-,21-19-
InChIKey SWSAICQRJDJASD-MXLPAPOISA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Metabolite of Species Details
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). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe(18:1(9Z)/18:2(9Z,12Z)) (CHEBI:171030) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
74850016 ChemSpider
HMDB0113143 HMDB
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