CHEBI:170518 - PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:170518
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000085588513
Download Molfile XML SDF
Formula C43H76NO7P
Net Charge 0
Average Mass 750.055
Monoisotopic Mass 749.53594
InChI InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,35,38,42H,3-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
InChIKey NQBYEBBBKQZTKT-SXDACRMGSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(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 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 NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:170518) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
24769302 ChemSpider
HMDB0011418 HMDB
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