CHEBI:187351 - PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))

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ChEBI Name PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:187351
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H74NO8P
Net Charge 0
Average Mass 764.038
Monoisotopic Mass 763.51521
InChI InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41H,3-5,7,9-10,15-16,20,24-40,44H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t41-/m1/s1
InChIKey HHFGUIMMEZWSMH-DBMNPRCESA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) (CHEBI:187351) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
24768810 ChemSpider
HMDB0009359 HMDB
LMGP02010917 LIPID MAPS
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