CHEBI:176755 - PE(22:0/20:4)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PE(22:0/20:4)
ChEBI ID CHEBI:176755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H86NO8P
Net Charge 0
Average Mass 824.178
Monoisotopic Mass 823.60911
InChI InChI=1S/C47H86NO8P/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/h11,13,17,19,22,24,28,30,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,30-28-/t45-/m1/s1
InChIKey CKFHBKOKIQZFQD-BDYBUHBBSA-N
SMILES P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(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 PE(22:0/20:4) (CHEBI:176755) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
24768692 ChemSpider
HMDB0009240 HMDB
LMGP02010840 LIPID MAPS
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