CHEBI:171194 - PE-NMe(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))

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ChEBI Name PE-NMe(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:171194
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H74NO8P
Net Charge 0
Average Mass 752.027
Monoisotopic Mass 751.51521
InChI InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h6,8,12,14-15,17-19,21,23,40,43H,4-5,7,9-11,13,16,20,22,24-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,17-15-,19-18-,23-21-
InChIKey VFDAJCZECOTKSO-DHSYBHLNSA-N
SMILES P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)(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(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:171194) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual Xrefs Databases
74849946 ChemSpider
HMDB0113073 HMDB
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