CHEBI:171211 - PE-NMe(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))

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ChEBI Name PE-NMe(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
ChEBI ID CHEBI:171211
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/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h11-14,17-18,20-21,23,25,40,43H,4-10,15-16,19,22,24,26-39H2,1-3H3,(H,46,47)/b13-11-,14-12-,18-17-,21-20-,25-23-
InChIKey AQBLKBAOFJBDGL-LQBWWMHTSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(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 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-NMe(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) (CHEBI:171211) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
74850464 ChemSpider
HMDB0113593 HMDB
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