CHEBI:171430 - PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

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ChEBI Name PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:171430
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H82NO8P
Net Charge 0
Average Mass 808.135
Monoisotopic Mass 807.57781
InChI InChI=1S/C46H82NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h12,14,18,20,22-23,27,29,33,35,44,47H,4-11,13,15-17,19,21,24-26,28,30-32,34,36-43H2,1-3H3,(H,50,51)/b14-12-,20-18-,23-22-,29-27-,35-33-
InChIKey UTQBHMSOMGCBHH-QYPJFMAQSA-N
SMILES P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(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 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 NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:171430) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual Xrefs Databases
74849978 ChemSpider
HMDB0113105 HMDB
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