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CHEBI:131663 - 1,2-bis-[(9Z,11Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine

Default Structure
ChEBI IDCHEBI:131663
ChEBI Name1,2-bis-[(9Z,11Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1,2-bis-[(9Z,11Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as (9Z,11Z)-octadecadienoyl.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC41H74NO8P
Net Charge0
Average Mass740.016
Monoisotopic Mass739.51520
SMILESCCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C=C/CCCCCC
InChIInChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-20,39H,3-12,21-38,42H2,1-2H3,(H,45,46)/b15-13-,16-14-,19-17-,20-18-/t39-/m1/s1
InChIKeyCMCPQFKZYMRAKT-UHSBSJHCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- PubMed (27471436)
- MetaboLights (MTBLS334)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-bis-[(9Z,11Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131663) has functional parent octadeca-9,11-dienoic acid (CHEBI:36025)
1,2-bis-[(9Z,11Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131663) has role mouse metabolite (CHEBI:75771)
1,2-bis-[(9Z,11Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131663) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z,11Z)-octadeca-9,11-dienoyl]oxy}propyl (9Z,11Z)-octadeca-9,11-dienoate
Synonym  Source
PE(18:2(9Z,11Z)/18:2(9Z,11Z))ChEBI
Manual XrefsDatabases
7825686ChemSpider
Citations