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CHEBI:176739 - 1-Eicosadienoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:176739
ChEBI Name1-Eicosadienoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H78NO8P
Net Charge0
Average Mass816.114
Monoisotopic Mass815.54651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
InChIKeySGQIECCWAOPTNL-LEFPGAKQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
1-Eicosadienoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine (CHEBI:176739) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0009309HMDB
24768760ChemSpider
LMGP02010901LIPID MAPS