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

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ChEBI Name 1-Eicosadienoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:176739
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H78NO8P
Net Charge 0
Average Mass 816.114
Monoisotopic Mass 815.54651
InChI InChI=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
InChIKey SGQIECCWAOPTNL-LEFPGAKQSA-N
SMILES P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24768760 ChemSpider
HMDB0009309 HMDB
LMGP02010901 LIPID MAPS
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